phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate

C13H18N2O3 — CID 60659612

IUPACphenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
SMILESCCCNC(=O)C(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-9-14-12(16)10(2)15-13(17)18-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAYLITWFSDTXFJG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.69
Rot. Bonds5

About phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate

phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate (PubChem CID 60659612) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
PubChem CID60659612
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namephenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
SMILESCCCNC(=O)C(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-9-14-12(16)10(2)15-13(17)18-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAYLITWFSDTXFJG-UHFFFAOYSA-N
XLogP1.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate 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

phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
CID 113408177
phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate
CID 126006109
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
2-(3-phenoxypropylamino)-N-propylpropanamide
CID 60695598
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467
phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908400
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 171980527
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
(3,5-diphenylphenyl) N-propylcarbamate
CID 44572187

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate?
The IUPAC name of phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate (CID 60659612) is phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate?
The canonical SMILES for phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate is CCCNC(=O)C(C)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate?
The InChIKey is AYLITWFSDTXFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-9-14-12(16)10(2)15-13(17)18-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate?
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate is sourced from PubChem (CID 60659612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).