N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide

C14H25NO2 — CID 58916625

IUPACN-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide
SMILESCC(=O)N(C(C)=O)C1CCC(CC(C)C)CC1
InChIInChI=1S/C14H25NO2/c1-10(2)9-13-5-7-14(8-6-13)15(11(3)16)12(4)17/h10,13-14H,5-9H2,1-4H3
InChIKeyJWRFQNGPWMPNIN-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.99
Rot. Bonds3

About N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide

N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide (PubChem CID 58916625) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide
PubChem CID58916625
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide
SMILESCC(=O)N(C(C)=O)C1CCC(CC(C)C)CC1
InChIInChI=1S/C14H25NO2/c1-10(2)9-13-5-7-14(8-6-13)15(11(3)16)12(4)17/h10,13-14H,5-9H2,1-4H3
InChIKeyJWRFQNGPWMPNIN-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 167520283
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
ethyl 4-(2-methylpropyl)cyclohexane-1-carboxylate
CID 148815962
N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide
CID 177136120
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
2,2-dimethylpropane;N-[4-(2-methylpropyl)cyclohexyl]acetamide
CID 143679786
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
(E)-4-[2-[4-(2-methylpropyl)cyclohexyl]ethoxy]-4-oxobut-2-enoic acid
CID 172565476
N-cyclobutyl-N-(2-methylpropyl)acetamide
CID 143031247
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59001118
N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide
CID 130426855
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide?
The IUPAC name of N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide (CID 58916625) is N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide is CC(=O)N(C(C)=O)C1CCC(CC(C)C)CC1.
What is the InChIKey of N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide?
The InChIKey is JWRFQNGPWMPNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)9-13-5-7-14(8-6-13)15(11(3)16)12(4)17/h10,13-14H,5-9H2,1-4H3.
What are the key properties of N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide?
N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide has a molecular weight of 239.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide is sourced from PubChem (CID 58916625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).