(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide

C12H17N3O3 — CID 41036741

IUPAC(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(N[C@@H](C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C12H17N3O3/c1-3-18-10-6-4-9(5-7-10)14-8(2)11(16)15-12(13)17/h4-8,14H,3H2,1-2H3,(H3,13,15,16,17)/t8-/m0/s1
InChIKeyKBABSXWQOLQONV-QMMMGPOBSA-N
MW251.29 g/mol
LogP1.08
Rot. Bonds5

About (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide

(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide (PubChem CID 41036741) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide
PubChem CID41036741
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(N[C@@H](C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C12H17N3O3/c1-3-18-10-6-4-9(5-7-10)14-8(2)11(16)15-12(13)17/h4-8,14H,3H2,1-2H3,(H3,13,15,16,17)/t8-/m0/s1
InChIKeyKBABSXWQOLQONV-QMMMGPOBSA-N
XLogP1.08
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide
CID 32737082
(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
CID 25409314
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 18159437
2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242371
4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide
CID 2420633
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
CID 43086081
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide
CID 131859212
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7567266

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide (CID 41036741) is (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide is CCOc1ccc(N[C@@H](C)C(=O)NC(N)=O)cc1.
What is the InChIKey of (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide?
The InChIKey is KBABSXWQOLQONV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-18-10-6-4-9(5-7-10)14-8(2)11(16)15-12(13)17/h4-8,14H,3H2,1-2H3,(H3,13,15,16,17)/t8-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide?
(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide has a molecular weight of 251.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide is sourced from PubChem (CID 41036741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).