cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine

C48H70N2O12Si — CID 161185603

IUPACcyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine
SMILESC1CCCC1.CCO[Si](CCCN)(OCC)OCC.COc1ccc2c(CC(=O)NCCCC3CCCC3)cc(=O)oc2c1.COc1ccc2c(CC(=O)O)cc(=O)oc2c1.[2H]C#C
InChIInChI=1S/C20H25NO4.C12H10O5.C9H23NO3Si.C5H10.C2H2/c1-24-16-8-9-17-15(12-20(23)25-18(17)13-16)11-19(22)21-10-4-7-14-5-2-3-6-14;1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-2-4-5-3-1;1-2/h8-9,12-14H,2-7,10-11H2,1H3,(H,21,22);2-3,5-6H,4H2,1H3,(H,13,14);4-10H2,1-3H3;1-5H2;1-2H/i;;;;1D
InChIKeyUTASAPRGAJDAOO-KBJZJHATSA-N
MW896.18 g/mol
LogP8.44
Rot. Bonds19

About cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine

cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine (PubChem CID 161185603) has the molecular formula C48H70N2O12Si and a molecular weight of 896.18 g/mol. Its IUPAC name is cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Namecyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine
PubChem CID161185603
Molecular FormulaC48H70N2O12Si
Molecular Weight896.18 g/mol
Exact Mass895.48
IUPAC Namecyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine
SMILESC1CCCC1.CCO[Si](CCCN)(OCC)OCC.COc1ccc2c(CC(=O)NCCCC3CCCC3)cc(=O)oc2c1.COc1ccc2c(CC(=O)O)cc(=O)oc2c1.[2H]C#C
InChIInChI=1S/C20H25NO4.C12H10O5.C9H23NO3Si.C5H10.C2H2/c1-24-16-8-9-17-15(12-20(23)25-18(17)13-16)11-19(22)21-10-4-7-14-5-2-3-6-14;1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-2-4-5-3-1;1-2/h8-9,12-14H,2-7,10-11H2,1H3,(H,21,22);2-3,5-6H,4H2,1H3,(H,13,14);4-10H2,1-3H3;1-5H2;1-2H/i;;;;1D
InChIKeyUTASAPRGAJDAOO-KBJZJHATSA-N
XLogP8.44
TPSA198.99 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500896.18
LogP ≤ 58.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine with MolForge

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Related Compounds

N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 4608789
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790
(2S)-2,6-diaminohexanoic acid;2-(7-methoxy-2-oxochromen-4-yl)acetic acid
CID 161200338
(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 6723110
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
(7-methoxy-2-oxochromen-4-yl)methyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 167898326
4-[[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]methyl]-7-methoxychromen-2-one
CID 51684418
methyl 6-[4-[2-[4-(ethoxycarbonylamino)butylamino]-2-oxoethyl]-2-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
CID 90334327
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9053292
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192

Frequently Asked Questions

What is the IUPAC name of cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine?
The IUPAC name of cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine (CID 161185603) is cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine?
The canonical SMILES for cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine is C1CCCC1.CCO[Si](CCCN)(OCC)OCC.COc1ccc2c(CC(=O)NCCCC3CCCC3)cc(=O)oc2c1.COc1ccc2c(CC(=O)O)cc(=O)oc2c1.[2H]C#C.
What is the InChIKey of cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine?
The InChIKey is UTASAPRGAJDAOO-KBJZJHATSA-N. The full InChI is InChI=1S/C20H25NO4.C12H10O5.C9H23NO3Si.C5H10.C2H2/c1-24-16-8-9-17-15(12-20(23)25-18(17)13-16)11-19(22)21-10-4-7-14-5-2-3-6-14;1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-2-4-5-3-1;1-2/h8-9,12-14H,2-7,10-11H2,1H3,(H,21,22);2-3,5-6H,4H2,1H3,(H,13,14);4-10H2,1-3H3;1-5H2;1-2H/i;;;;1D.
What are the key properties of cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine?
cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine has a molecular weight of 896.18 g/mol, XLogP of 8.44, 19 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 161185603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).