N-hexan-2-ylbutanamide

C10H21NO — CID 64592038

IUPACN-hexan-2-ylbutanamide
SMILESCCCCC(C)NC(=O)CCC
InChIInChI=1S/C10H21NO/c1-4-6-8-9(3)11-10(12)7-5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyWMQPJZDHFDFOAN-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.48
Rot. Bonds6

About N-hexan-2-ylbutanamide

N-hexan-2-ylbutanamide (PubChem CID 64592038) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-hexan-2-ylbutanamide.

Molecular Properties

Compound NameN-hexan-2-ylbutanamide
PubChem CID64592038
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-hexan-2-ylbutanamide
SMILESCCCCC(C)NC(=O)CCC
InChIInChI=1S/C10H21NO/c1-4-6-8-9(3)11-10(12)7-5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyWMQPJZDHFDFOAN-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6-methylheptan-2-yl)butanamide
CID 60644759
N-(5-bromopentan-2-yl)butanamide
CID 114316345
N-heptan-2-yldodecanamide
CID 3484810
N-octadecan-2-ylhexadecanamide
CID 87600664
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
N-pentan-2-ylundecanamide
CID 173258559
N-dodecan-2-ylpropanamide
CID 174988669
N-hexan-2-yl-2-methoxyacetamide
CID 64592486
N-[(2R)-hexan-2-yl]-2-methoxyacetamide
CID 24773041
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192
2-cyano-N-[(2R)-hexan-2-yl]acetamide
CID 94372249

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-ylbutanamide?
The IUPAC name of N-hexan-2-ylbutanamide (CID 64592038) is N-hexan-2-ylbutanamide.
What is the SMILES notation for N-hexan-2-ylbutanamide?
The canonical SMILES for N-hexan-2-ylbutanamide is CCCCC(C)NC(=O)CCC.
What is the InChIKey of N-hexan-2-ylbutanamide?
The InChIKey is WMQPJZDHFDFOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-8-9(3)11-10(12)7-5-2/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-hexan-2-ylbutanamide?
N-hexan-2-ylbutanamide has a molecular weight of 171.28 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-ylbutanamide is sourced from PubChem (CID 64592038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).