(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide

C21H24N2O4 — CID 95091455

IUPAC(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)NC(C)C)CO3)cc1
InChIInChI=1S/C21H24N2O4/c1-13(2)22-21(25)16-10-15-11-17(6-9-19(15)27-12-16)23-20(24)14-4-7-18(26-3)8-5-14/h4-9,11,13,16H,10,12H2,1-3H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyZFAGMTCTEKQUHQ-INIZCTEOSA-N
MW368.43 g/mol
LogP3.02
Rot. Bonds5

About (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95091455) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95091455
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)NC(C)C)CO3)cc1
InChIInChI=1S/C21H24N2O4/c1-13(2)22-21(25)16-10-15-11-17(6-9-19(15)27-12-16)23-20(24)14-4-7-18(26-3)8-5-14/h4-9,11,13,16H,10,12H2,1-3H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyZFAGMTCTEKQUHQ-INIZCTEOSA-N
XLogP3.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091102
N-[1-(3-benzamidophenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 112824255
(3S)-6-[(4-bromobenzoyl)amino]-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091417
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123288
(3S)-6-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091521
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-3-methylbutanoic acid
CID 119348268
(3S)-N-(3-methoxypropyl)-6-[(4-methylbenzoyl)amino]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091055
(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091374
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123430
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782602

Frequently Asked Questions

What is the IUPAC name of (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide (CID 95091455) is (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)NC(C)C)CO3)cc1.
What is the InChIKey of (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZFAGMTCTEKQUHQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13(2)22-21(25)16-10-15-11-17(6-9-19(15)27-12-16)23-20(24)14-4-7-18(26-3)8-5-14/h4-9,11,13,16H,10,12H2,1-3H3,(H,22,25)(H,23,24)/t16-/m0/s1.
What are the key properties of (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95091455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).