(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide

C19H23N3O5 — CID 30475898

IUPAC(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-25-15-10-13(11-16(26-2)17(15)27-3)21-18(23)14(22-19(20)24)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H,21,23)(H3,20,22,24)/t14-/m0/s1
InChIKeyNUJUQHWEZCMUSK-AWEZNQCLSA-N
MW373.41 g/mol
LogP1.93
Rot. Bonds8

About (2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide

(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 30475898) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID30475898
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-25-15-10-13(11-16(26-2)17(15)27-3)21-18(23)14(22-19(20)24)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H,21,23)(H3,20,22,24)/t14-/m0/s1
InChIKeyNUJUQHWEZCMUSK-AWEZNQCLSA-N
XLogP1.93
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide
CID 41170779
(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92502327
benzyl N-[1-(3,4-dimethoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 43007898
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8575384
N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 43006853
(2R)-2-[[(2R)-2-methoxypropanoyl]amino]-N,3-diphenylpropanamide
CID 95617951
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
CID 28538298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide (CID 30475898) is (2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc(OC)c1OC.
What is the InChIKey of (2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is NUJUQHWEZCMUSK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-25-15-10-13(11-16(26-2)17(15)27-3)21-18(23)14(22-19(20)24)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H,21,23)(H3,20,22,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 373.41 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 30475898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).