(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide

C22H29N3O4 — CID 9494696

IUPAC(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)NC(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C22H29N3O4/c1-5-29-19-12-11-18(13-20(19)28-4)15-25(3)16(2)21(26)24-22(27)23-14-17-9-7-6-8-10-17/h6-13,16H,5,14-15H2,1-4H3,(H2,23,24,26,27)/t16-/m1/s1
InChIKeyQEUAVVGRQRACEQ-MRXNPFEDSA-N
MW399.49 g/mol
LogP2.94
Rot. Bonds9

About (2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide

(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide (PubChem CID 9494696) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
PubChem CID9494696
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)NC(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C22H29N3O4/c1-5-29-19-12-11-18(13-20(19)28-4)15-25(3)16(2)21(26)24-22(27)23-14-17-9-7-6-8-10-17/h6-13,16H,5,14-15H2,1-4H3,(H2,23,24,26,27)/t16-/m1/s1
InChIKeyQEUAVVGRQRACEQ-MRXNPFEDSA-N
XLogP2.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(propan-2-ylcarbamoyl)propanamide
CID 9494705
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16608734
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 8798163
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694047
methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8845343
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9494576
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515183
(2R)-N-(3-chloro-2-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
CID 9494560
(2S)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8798182

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide (CID 9494696) is (2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide is CCOc1ccc(CN(C)[C@H](C)C(=O)NC(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of (2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is QEUAVVGRQRACEQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-5-29-19-12-11-18(13-20(19)28-4)15-25(3)16(2)21(26)24-22(27)23-14-17-9-7-6-8-10-17/h6-13,16H,5,14-15H2,1-4H3,(H2,23,24,26,27)/t16-/m1/s1.
What are the key properties of (2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide?
(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 399.49 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 9494696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).