2-(butan-2-ylamino)-N,N-dihexylacetamide

C18H38N2O — CID 63497077

IUPAC2-(butan-2-ylamino)-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)CNC(C)CC
InChIInChI=1S/C18H38N2O/c1-5-8-10-12-14-20(15-13-11-9-6-2)18(21)16-19-17(4)7-3/h17,19H,5-16H2,1-4H3
InChIKeyCNMJWRAMXNAYGS-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.36
Rot. Bonds14

About 2-(butan-2-ylamino)-N,N-dihexylacetamide

2-(butan-2-ylamino)-N,N-dihexylacetamide (PubChem CID 63497077) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N,N-dihexylacetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N,N-dihexylacetamide
PubChem CID63497077
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-(butan-2-ylamino)-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)CNC(C)CC
InChIInChI=1S/C18H38N2O/c1-5-8-10-12-14-20(15-13-11-9-6-2)18(21)16-19-17(4)7-3/h17,19H,5-16H2,1-4H3
InChIKeyCNMJWRAMXNAYGS-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid
CID 43466823
(2R)-2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194352
2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
CID 102992913
N,N-diethyl-2-(heptan-2-ylamino)acetamide
CID 60688008
3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
CID 62328666
2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide
CID 113166653
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N,N-dihexylacetamide?
The IUPAC name of 2-(butan-2-ylamino)-N,N-dihexylacetamide (CID 63497077) is 2-(butan-2-ylamino)-N,N-dihexylacetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N,N-dihexylacetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N,N-dihexylacetamide is CCCCCCN(CCCCCC)C(=O)CNC(C)CC.
What is the InChIKey of 2-(butan-2-ylamino)-N,N-dihexylacetamide?
The InChIKey is CNMJWRAMXNAYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-8-10-12-14-20(15-13-11-9-6-2)18(21)16-19-17(4)7-3/h17,19H,5-16H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-N,N-dihexylacetamide?
2-(butan-2-ylamino)-N,N-dihexylacetamide has a molecular weight of 298.51 g/mol, XLogP of 4.36, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N,N-dihexylacetamide is sourced from PubChem (CID 63497077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).