N-[3-(butylamino)-3-oxopropyl]butanamide

C11H22N2O2 — CID 3067806

IUPACN-[3-(butylamino)-3-oxopropyl]butanamide
SMILESCCCCNC(=O)CCNC(=O)CCC
InChIInChI=1S/C11H22N2O2/c1-3-5-8-12-11(15)7-9-13-10(14)6-4-2/h3-9H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyMCDCXIHWVDIWIT-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.21
Rot. Bonds8

About N-[3-(butylamino)-3-oxopropyl]butanamide

N-[3-(butylamino)-3-oxopropyl]butanamide (PubChem CID 3067806) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[3-(butylamino)-3-oxopropyl]butanamide.

Molecular Properties

Compound NameN-[3-(butylamino)-3-oxopropyl]butanamide
PubChem CID3067806
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[3-(butylamino)-3-oxopropyl]butanamide
SMILESCCCCNC(=O)CCNC(=O)CCC
InChIInChI=1S/C11H22N2O2/c1-3-5-8-12-11(15)7-9-13-10(14)6-4-2/h3-9H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyMCDCXIHWVDIWIT-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(butylamino)-3-oxopropyl]butanamide 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

CID 916
CID 916
CID 123689
CID 123689
CID 496
CID 496
CID 129397
CID 129397
CID 132680
CID 132680
CID 347960
CID 347960
CID 346250
CID 346250
CID 100784
CID 100784
CID 73858
CID 73858
CID 25201943
CID 25201943
CID 2847505
CID 2847505
CID 9816969
CID 9816969

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylamino)-3-oxopropyl]butanamide?
The IUPAC name of N-[3-(butylamino)-3-oxopropyl]butanamide (CID 3067806) is N-[3-(butylamino)-3-oxopropyl]butanamide.
What is the SMILES notation for N-[3-(butylamino)-3-oxopropyl]butanamide?
The canonical SMILES for N-[3-(butylamino)-3-oxopropyl]butanamide is CCCCNC(=O)CCNC(=O)CCC.
What is the InChIKey of N-[3-(butylamino)-3-oxopropyl]butanamide?
The InChIKey is MCDCXIHWVDIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-5-8-12-11(15)7-9-13-10(14)6-4-2/h3-9H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-[3-(butylamino)-3-oxopropyl]butanamide?
N-[3-(butylamino)-3-oxopropyl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylamino)-3-oxopropyl]butanamide is sourced from PubChem (CID 3067806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).