(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide

C23H26N2O4 — CID 8015794

IUPAC(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
SMILESC[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCCCN(C)C
InChIInChI=1S/C23H26N2O4/c1-16(23(27)24-12-7-13-25(2)3)28-18-10-11-19-20(17-8-5-4-6-9-17)15-22(26)29-21(19)14-18/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyYOIVTEYMVHYJTG-INIZCTEOSA-N
MW394.47 g/mol
LogP3.30
Rot. Bonds8

About (2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide

(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide (PubChem CID 8015794) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
PubChem CID8015794
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
SMILESC[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCCCN(C)C
InChIInChI=1S/C23H26N2O4/c1-16(23(27)24-12-7-13-25(2)3)28-18-10-11-19-20(17-8-5-4-6-9-17)15-22(26)29-21(19)14-18/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyYOIVTEYMVHYJTG-INIZCTEOSA-N
XLogP3.30
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334
2-[[2-[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235111
2-[[2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235109
4-[[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 982177
N-[3-(dimethylamino)propyl]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanamide
CID 4908121
(2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7633293
(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070060
7-[(2R)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325271
(2R)-3-methyl-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 75490946
(2R)-2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]-3-phenylpropanoic acid
CID 1194318
(2R)-2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]-2-phenylacetate
CID 7896865
2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]-2-phenylacetate
CID 5054539

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The IUPAC name of (2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide (CID 8015794) is (2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The canonical SMILES for (2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide is C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCCCN(C)C.
What is the InChIKey of (2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The InChIKey is YOIVTEYMVHYJTG-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16(23(27)24-12-7-13-25(2)3)28-18-10-11-19-20(17-8-5-4-6-9-17)15-22(26)29-21(19)14-18/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide has a molecular weight of 394.47 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide is sourced from PubChem (CID 8015794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).