N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide

C13H26N2O2 — CID 3067801

IUPACN-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide
SMILESCCCCNC(=O)CCCNC(=O)CC(C)C
InChIInChI=1S/C13H26N2O2/c1-4-5-8-14-12(16)7-6-9-15-13(17)10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyDNIGMEYBBRIQHX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.85
Rot. Bonds9

About N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide

N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide (PubChem CID 3067801) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide
PubChem CID3067801
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide
SMILESCCCCNC(=O)CCCNC(=O)CC(C)C
InChIInChI=1S/C13H26N2O2/c1-4-5-8-14-12(16)7-6-9-15-13(17)10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyDNIGMEYBBRIQHX-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide?
The IUPAC name of N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide (CID 3067801) is N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide is CCCCNC(=O)CCCNC(=O)CC(C)C.
What is the InChIKey of N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide?
The InChIKey is DNIGMEYBBRIQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-8-14-12(16)7-6-9-15-13(17)10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide?
N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide is sourced from PubChem (CID 3067801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).