N-[3-(2-phenylethylcarbamoylamino)propyl]formamide

C13H19N3O2 — CID 108888088

IUPACN-[3-(2-phenylethylcarbamoylamino)propyl]formamide
SMILESO=CNCCCNC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19N3O2/c17-11-14-8-4-9-15-13(18)16-10-7-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,14,17)(H2,15,16,18)
InChIKeyCNFPBUUQBIUYAT-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.66
Rot. Bonds8

About N-[3-(2-phenylethylcarbamoylamino)propyl]formamide

N-[3-(2-phenylethylcarbamoylamino)propyl]formamide (PubChem CID 108888088) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[3-(2-phenylethylcarbamoylamino)propyl]formamide.

Molecular Properties

Compound NameN-[3-(2-phenylethylcarbamoylamino)propyl]formamide
PubChem CID108888088
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[3-(2-phenylethylcarbamoylamino)propyl]formamide
SMILESO=CNCCCNC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19N3O2/c17-11-14-8-4-9-15-13(18)16-10-7-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,14,17)(H2,15,16,18)
InChIKeyCNFPBUUQBIUYAT-UHFFFAOYSA-N
XLogP0.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-phenylethylcarbamoylamino)propyl]formamide 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-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide
CID 108900336
N-(6-phenylhexyl)formamide
CID 25180077
methane;N-(2-phenylethyl)formamide
CID 143644399
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]propyl]formamide
CID 108891394
N-(4-oxobutyl)formamide;2-phenylethanol
CID 175298453
3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
1-benzyl-3-[3-[5-[3-(benzylcarbamoylamino)propylamino]pentylamino]propyl]urea;dihydrochloride
CID 127052927
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
1-benzyl-3-[3-[5-[3-(benzylcarbamoylamino)propylamino]pentylamino]propyl]urea;hydrochloride
CID 118728395
N-[3-[(4-bromophenyl)methylcarbamoylamino]propyl]formamide
CID 108899505
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethylcarbamoylamino)propyl]formamide?
The IUPAC name of N-[3-(2-phenylethylcarbamoylamino)propyl]formamide (CID 108888088) is N-[3-(2-phenylethylcarbamoylamino)propyl]formamide.
What is the SMILES notation for N-[3-(2-phenylethylcarbamoylamino)propyl]formamide?
The canonical SMILES for N-[3-(2-phenylethylcarbamoylamino)propyl]formamide is O=CNCCCNC(=O)NCCc1ccccc1.
What is the InChIKey of N-[3-(2-phenylethylcarbamoylamino)propyl]formamide?
The InChIKey is CNFPBUUQBIUYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-14-8-4-9-15-13(18)16-10-7-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,14,17)(H2,15,16,18).
What are the key properties of N-[3-(2-phenylethylcarbamoylamino)propyl]formamide?
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide has a molecular weight of 249.31 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethylcarbamoylamino)propyl]formamide is sourced from PubChem (CID 108888088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).