2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide

C13H26N2O — CID 60648633

IUPAC2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
SMILESCCC(C)NCC(=O)NCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-11(2)14-10-13(16)15-9-12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyPGYWHEHLGRXPQU-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds6

About 2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide

2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide (PubChem CID 60648633) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
PubChem CID60648633
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
SMILESCCC(C)NCC(=O)NCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-11(2)14-10-13(16)15-9-12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyPGYWHEHLGRXPQU-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-2-(propan-2-ylamino)acetamide
CID 54880897
N-(cyclopropylmethyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61469190
N-(cyclobutylmethyl)-2-(dicyclopentylmethylamino)acetamide
CID 75444208
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
2-(1-cyclobutylpropan-2-ylamino)-N-ethylacetamide
CID 115707078
N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide
CID 112623674
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
2-(butan-2-ylamino)-N-cyclohexyl-N-ethylacetamide
CID 60684282
2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 60852471
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
N-(cyclopropylmethyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43567877
2-(cyclohexylmethylamino)-N-pentan-2-ylacetamide
CID 60687215

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide (CID 60648633) is 2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide is CCC(C)NCC(=O)NCC1CCCCC1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide?
The InChIKey is PGYWHEHLGRXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-11(2)14-10-13(16)15-9-12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide?
2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 60648633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).