N-butan-2-yl-N-ethylhexanamide

C12H25NO — CID 153425250

IUPACN-butan-2-yl-N-ethylhexanamide
SMILESCCCCCC(=O)N(CC)C(C)CC
InChIInChI=1S/C12H25NO/c1-5-8-9-10-12(14)13(7-3)11(4)6-2/h11H,5-10H2,1-4H3
InChIKeyNFMBWALSQCIQOZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.21
Rot. Bonds7

About N-butan-2-yl-N-ethylhexanamide

N-butan-2-yl-N-ethylhexanamide (PubChem CID 153425250) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-butan-2-yl-N-ethylhexanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethylhexanamide
PubChem CID153425250
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-butan-2-yl-N-ethylhexanamide
SMILESCCCCCC(=O)N(CC)C(C)CC
InChIInChI=1S/C12H25NO/c1-5-8-9-10-12(14)13(7-3)11(4)6-2/h11H,5-10H2,1-4H3
InChIKeyNFMBWALSQCIQOZ-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethylhexanamide
CID 22084
1-(Pyrrolidin-1-yl)hexan-1-one
CID 246835
1-Hexanoylpiperidine
CID 246831
Diethyl caprylamide
CID 70456
N,N-Diethyldecanamide
CID 304087
1-Ethylazepan-2-one
CID 29779
n,n-Dihexylacetamide
CID 243972
N,N-diethylnonanamide
CID 303119
N,N-Dibutylhexanamide
CID 304113
Hexanamide, N-isopropyl
CID 528620
N,N-bis[4-(dimethylamino)butyl]hexanamide
CID 423377
5-(dimethylamino)-N,N-dimethylhexanamide
CID 44570053

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethylhexanamide?
The IUPAC name of N-butan-2-yl-N-ethylhexanamide (CID 153425250) is N-butan-2-yl-N-ethylhexanamide.
What is the SMILES notation for N-butan-2-yl-N-ethylhexanamide?
The canonical SMILES for N-butan-2-yl-N-ethylhexanamide is CCCCCC(=O)N(CC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-ethylhexanamide?
The InChIKey is NFMBWALSQCIQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-8-9-10-12(14)13(7-3)11(4)6-2/h11H,5-10H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethylhexanamide?
N-butan-2-yl-N-ethylhexanamide has a molecular weight of 199.34 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethylhexanamide is sourced from PubChem (CID 153425250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).