N-butan-2-yl-N-cycloheptylacetamide

C13H25NO — CID 102519619

IUPACN-butan-2-yl-N-cycloheptylacetamide
SMILESCCC(C)N(C(C)=O)C1CCCCCC1
InChIInChI=1S/C13H25NO/c1-4-11(2)14(12(3)15)13-9-7-5-6-8-10-13/h11,13H,4-10H2,1-3H3
InChIKeyRVVIGXRUCUYUJD-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.36
Rot. Bonds3

About N-butan-2-yl-N-cycloheptylacetamide

N-butan-2-yl-N-cycloheptylacetamide (PubChem CID 102519619) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-butan-2-yl-N-cycloheptylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-cycloheptylacetamide
PubChem CID102519619
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-butan-2-yl-N-cycloheptylacetamide
SMILESCCC(C)N(C(C)=O)C1CCCCCC1
InChIInChI=1S/C13H25NO/c1-4-11(2)14(12(3)15)13-9-7-5-6-8-10-13/h11,13H,4-10H2,1-3H3
InChIKeyRVVIGXRUCUYUJD-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl(1-hydroxypropan-2-yl)carbamic acid
CID 69264268
N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide
CID 126603492
cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid
CID 69262893
4-[cycloheptyl(methyl)amino]pentan-2-one
CID 64696664
2-(butan-2-ylamino)-N-cyclohexyl-N-ethylacetamide
CID 60684282
N-cyclobutyl-N-(2-methylpropyl)acetamide
CID 143031247
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
CID 20752266
2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid
CID 63703998
N-cyclononyl-N-hydroxyacetamide
CID 135197506
N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide
CID 78874136
cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid
CID 87182283
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-cycloheptylacetamide?
The IUPAC name of N-butan-2-yl-N-cycloheptylacetamide (CID 102519619) is N-butan-2-yl-N-cycloheptylacetamide.
What is the SMILES notation for N-butan-2-yl-N-cycloheptylacetamide?
The canonical SMILES for N-butan-2-yl-N-cycloheptylacetamide is CCC(C)N(C(C)=O)C1CCCCCC1.
What is the InChIKey of N-butan-2-yl-N-cycloheptylacetamide?
The InChIKey is RVVIGXRUCUYUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-11(2)14(12(3)15)13-9-7-5-6-8-10-13/h11,13H,4-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-cycloheptylacetamide?
N-butan-2-yl-N-cycloheptylacetamide has a molecular weight of 211.35 g/mol, XLogP of 3.36, 3 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-cycloheptylacetamide is sourced from PubChem (CID 102519619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).