(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide

C16H17N3O3 — CID 25409314

IUPAC(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
SMILESC[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)NC(N)=O
InChIInChI=1S/C16H17N3O3/c1-11(15(20)19-16(17)21)18-12-7-9-14(10-8-12)22-13-5-3-2-4-6-13/h2-11,18H,1H3,(H3,17,19,20,21)/t11-/m1/s1
InChIKeyCXJMPGPOHGVSRX-LLVKDONJSA-N
MW299.33 g/mol
LogP2.47
Rot. Bonds5

About (2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide

(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide (PubChem CID 25409314) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
PubChem CID25409314
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
SMILESC[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)NC(N)=O
InChIInChI=1S/C16H17N3O3/c1-11(15(20)19-16(17)21)18-12-7-9-14(10-8-12)22-13-5-3-2-4-6-13/h2-11,18H,1H3,(H3,17,19,20,21)/t11-/m1/s1
InChIKeyCXJMPGPOHGVSRX-LLVKDONJSA-N
XLogP2.47
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-carbamoyl-2-(4-phenoxyanilino)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

N-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide
CID 41036741
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
(2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide
CID 25355237
N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
CID 43086081
N-carbamoyl-2-(4-methylsulfanylanilino)propanamide
CID 43086461
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
(2R)-N-carbamoyl-2-(9H-fluoren-2-ylamino)propanamide
CID 40954214
methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
CID 5389782
methyl 2-anilinopropanoate
CID 3417283
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799845

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide (CID 25409314) is (2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide is C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide?
The InChIKey is CXJMPGPOHGVSRX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(15(20)19-16(17)21)18-12-7-9-14(10-8-12)22-13-5-3-2-4-6-13/h2-11,18H,1H3,(H3,17,19,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide?
(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide has a molecular weight of 299.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide is sourced from PubChem (CID 25409314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).