N,N-dibutyl-2-methylpentanamide

C14H29NO — CID 2904869

IUPACN,N-dibutyl-2-methylpentanamide
SMILESCCCCN(CCCC)C(=O)C(C)CCC
InChIInChI=1S/C14H29NO/c1-5-8-11-15(12-9-6-2)14(16)13(4)10-7-3/h13H,5-12H2,1-4H3
InChIKeyLOWFQTNMIBYSAF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.85
Rot. Bonds9

About N,N-dibutyl-2-methylpentanamide

N,N-dibutyl-2-methylpentanamide (PubChem CID 2904869) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,N-dibutyl-2-methylpentanamide.

Molecular Properties

Compound NameN,N-dibutyl-2-methylpentanamide
PubChem CID2904869
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,N-dibutyl-2-methylpentanamide
SMILESCCCCN(CCCC)C(=O)C(C)CCC
InChIInChI=1S/C14H29NO/c1-5-8-11-15(12-9-6-2)14(16)13(4)10-7-3/h13H,5-12H2,1-4H3
InChIKeyLOWFQTNMIBYSAF-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
4-amino-2-methyl-N,N-dipentylbutanamide
CID 80542996
5-amino-N,N-dihexyl-2-methylpentanamide
CID 104684478
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
N,N-bis(2-cyanoethyl)-2-methylpentanamide
CID 4628054
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
N-(2-bromoethyl)-N-butyl-2-propylpentanamide
CID 82987659
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide
CID 10310351
methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
CID 78959268
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-methylpentanamide?
The IUPAC name of N,N-dibutyl-2-methylpentanamide (CID 2904869) is N,N-dibutyl-2-methylpentanamide.
What is the SMILES notation for N,N-dibutyl-2-methylpentanamide?
The canonical SMILES for N,N-dibutyl-2-methylpentanamide is CCCCN(CCCC)C(=O)C(C)CCC.
What is the InChIKey of N,N-dibutyl-2-methylpentanamide?
The InChIKey is LOWFQTNMIBYSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-8-11-15(12-9-6-2)14(16)13(4)10-7-3/h13H,5-12H2,1-4H3.
What are the key properties of N,N-dibutyl-2-methylpentanamide?
N,N-dibutyl-2-methylpentanamide has a molecular weight of 227.39 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-methylpentanamide is sourced from PubChem (CID 2904869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).