2-[butyl(butylcarbamoyl)amino]acetamide

C11H23N3O2 — CID 115585915

IUPAC2-[butyl(butylcarbamoyl)amino]acetamide
SMILESCCCCNC(=O)N(CCCC)CC(N)=O
InChIInChI=1S/C11H23N3O2/c1-3-5-7-13-11(16)14(8-6-4-2)9-10(12)15/h3-9H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyMULXKJIYBFBGNP-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds8

About 2-[butyl(butylcarbamoyl)amino]acetamide

2-[butyl(butylcarbamoyl)amino]acetamide (PubChem CID 115585915) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[butyl(butylcarbamoyl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl(butylcarbamoyl)amino]acetamide
PubChem CID115585915
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[butyl(butylcarbamoyl)amino]acetamide
SMILESCCCCNC(=O)N(CCCC)CC(N)=O
InChIInChI=1S/C11H23N3O2/c1-3-5-7-13-11(16)14(8-6-4-2)9-10(12)15/h3-9H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyMULXKJIYBFBGNP-UHFFFAOYSA-N
XLogP1.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[butyl(butylcarbamoyl)amino]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

2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167624
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
1,1,3-tri(undecyl)urea
CID 168918847
1,3-dibutyl-1-(butylcarbamoyl)urea
CID 101342122
2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424410
methane;1,1,3-trioctylurea
CID 163789497
3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea
CID 102992273
5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
CID 103103549
(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010409

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(butylcarbamoyl)amino]acetamide?
The IUPAC name of 2-[butyl(butylcarbamoyl)amino]acetamide (CID 115585915) is 2-[butyl(butylcarbamoyl)amino]acetamide.
What is the SMILES notation for 2-[butyl(butylcarbamoyl)amino]acetamide?
The canonical SMILES for 2-[butyl(butylcarbamoyl)amino]acetamide is CCCCNC(=O)N(CCCC)CC(N)=O.
What is the InChIKey of 2-[butyl(butylcarbamoyl)amino]acetamide?
The InChIKey is MULXKJIYBFBGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-5-7-13-11(16)14(8-6-4-2)9-10(12)15/h3-9H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of 2-[butyl(butylcarbamoyl)amino]acetamide?
2-[butyl(butylcarbamoyl)amino]acetamide has a molecular weight of 229.32 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(butylcarbamoyl)amino]acetamide is sourced from PubChem (CID 115585915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).