N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C16H23FN4O3 — CID 86989035

IUPACN-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCCCCN(CC(N)=O)C(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H23FN4O3/c1-2-3-8-21(11-14(18)22)15(23)10-20-16(24)19-9-12-4-6-13(17)7-5-12/h4-7H,2-3,8-11H2,1H3,(H2,18,22)(H2,19,20,24)
InChIKeyIXVNLFWSIZDKCM-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.74
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 86989035) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID86989035
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCCCCN(CC(N)=O)C(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H23FN4O3/c1-2-3-8-21(11-14(18)22)15(23)10-20-16(24)19-9-12-4-6-13(17)7-5-12/h4-7H,2-3,8-11H2,1H3,(H2,18,22)(H2,19,20,24)
InChIKeyIXVNLFWSIZDKCM-UHFFFAOYSA-N
XLogP0.74
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide 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

1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 50952079
methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate
CID 47307690
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
CID 38045516
N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide
CID 78855212
2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 26302621
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325163
N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599
N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86963688
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
N-cyclopropyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 33036704

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 86989035) is N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is CCCCN(CC(N)=O)C(=O)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is IXVNLFWSIZDKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-2-3-8-21(11-14(18)22)15(23)10-20-16(24)19-9-12-4-6-13(17)7-5-12/h4-7H,2-3,8-11H2,1H3,(H2,18,22)(H2,19,20,24).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 338.38 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 86989035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).