N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide

C27H33FN2O5 — CID 22345267

IUPACN-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide
SMILESCOCC(=O)N(CCCN)C(c1oc2cc(F)ccc2c(=O)c1Cc1cccc(OC)c1)C(C)C
InChIInChI=1S/C27H33FN2O5/c1-17(2)25(30(12-6-11-29)24(31)16-33-3)27-22(14-18-7-5-8-20(13-18)34-4)26(32)21-10-9-19(28)15-23(21)35-27/h5,7-10,13,15,17,25H,6,11-12,14,16,29H2,1-4H3
InChIKeyGRNSNPJBAUGFLM-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.05
Rot. Bonds11

About N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide

N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide (PubChem CID 22345267) has the molecular formula C27H33FN2O5 and a molecular weight of 484.57 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide
PubChem CID22345267
Molecular FormulaC27H33FN2O5
Molecular Weight484.57 g/mol
Exact Mass484.24
IUPAC NameN-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide
SMILESCOCC(=O)N(CCCN)C(c1oc2cc(F)ccc2c(=O)c1Cc1cccc(OC)c1)C(C)C
InChIInChI=1S/C27H33FN2O5/c1-17(2)25(30(12-6-11-29)24(31)16-33-3)27-22(14-18-7-5-8-20(13-18)34-4)26(32)21-10-9-19(28)15-23(21)35-27/h5,7-10,13,15,17,25H,6,11-12,14,16,29H2,1-4H3
InChIKeyGRNSNPJBAUGFLM-UHFFFAOYSA-N
XLogP4.05
TPSA95.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide with MolForge

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Related Compounds

N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide
CID 22345309
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-fluoro-4-oxochromen-2-yl)-2-methylpropyl]-1-methylimidazole-4-carboxamide
CID 66756771
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-cyano-4-oxochromen-2-yl)-2-methylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66756119
2-(1-amino-2-methylpropyl)-3-benzyl-7-methoxychromen-4-one
CID 89058488
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-methoxyphenyl)imidazol-2-yl]-2-methylpropyl]-2,4-difluorobenzamide
CID 11713506
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxopyrano[2,3-b]pyridin-2-yl]-2-methylpropyl] N-(2-methylpropyl)carbamate
CID 91500258
2-[1-[2-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-5-yl]-2-methylpropyl]-7-chloro-3-[(3-methoxyphenyl)methyl]chromen-4-one
CID 91451610
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide
CID 86967824
2-[[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxopyrano[2,3-b]pyridin-2-yl]-2-methylpropyl]amino]ethyl N-(2-methylpropyl)carbamate
CID 90945813
N-(3-aminopropyl)-N-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-methoxyacetamide
CID 71217687

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide (CID 22345267) is N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide is COCC(=O)N(CCCN)C(c1oc2cc(F)ccc2c(=O)c1Cc1cccc(OC)c1)C(C)C.
What is the InChIKey of N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide?
The InChIKey is GRNSNPJBAUGFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O5/c1-17(2)25(30(12-6-11-29)24(31)16-33-3)27-22(14-18-7-5-8-20(13-18)34-4)26(32)21-10-9-19(28)15-23(21)35-27/h5,7-10,13,15,17,25H,6,11-12,14,16,29H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide?
N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide has a molecular weight of 484.57 g/mol, XLogP of 4.05, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide is sourced from PubChem (CID 22345267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).