(2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide

C13H19N3O4 — CID 33101422

IUPAC(2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(CNC(=O)[C@H](C)NC(N)=O)c1
InChIInChI=1S/C13H19N3O4/c1-8(16-13(14)18)12(17)15-7-9-6-10(19-2)4-5-11(9)20-3/h4-6,8H,7H2,1-3H3,(H,15,17)(H3,14,16,18)/t8-/m0/s1
InChIKeyMFKPQMMRTANWND-QMMMGPOBSA-N
MW281.31 g/mol
LogP0.38
Rot. Bonds6

About (2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide

(2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide (PubChem CID 33101422) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
PubChem CID33101422
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name(2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(CNC(=O)[C@H](C)NC(N)=O)c1
InChIInChI=1S/C13H19N3O4/c1-8(16-13(14)18)12(17)15-7-9-6-10(19-2)4-5-11(9)20-3/h4-6,8H,7H2,1-3H3,(H,15,17)(H3,14,16,18)/t8-/m0/s1
InChIKeyMFKPQMMRTANWND-QMMMGPOBSA-N
XLogP0.38
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119278486
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
2-amino-N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666975
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
(2,4-dimethoxyphenyl)methylurea
CID 53362457
(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide
CID 2713290
2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 47047009
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide
CID 62839774
2-[2-[[2-(carbamoylamino)propanoylamino]methyl]phenyl]acetic acid
CID 81317551
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 46541023

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide (CID 33101422) is (2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide is COc1ccc(OC)c(CNC(=O)[C@H](C)NC(N)=O)c1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The InChIKey is MFKPQMMRTANWND-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(16-13(14)18)12(17)15-7-9-6-10(19-2)4-5-11(9)20-3/h4-6,8H,7H2,1-3H3,(H,15,17)(H3,14,16,18)/t8-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
(2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide has a molecular weight of 281.31 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 33101422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).