N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one

C13H25NO2 — CID 143490450

IUPACN-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
SMILESCC(=O)NCC1CCC(C)CC1.CC(C)=O
InChIInChI=1S/C10H19NO.C3H6O/c1-8-3-5-10(6-4-8)7-11-9(2)12;1-3(2)4/h8,10H,3-7H2,1-2H3,(H,11,12);1-2H3
InChIKeyUUMDPXWHIRXJIM-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.54
Rot. Bonds2

About N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one

N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one (PubChem CID 143490450) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
PubChem CID143490450
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
SMILESCC(=O)NCC1CCC(C)CC1.CC(C)=O
InChIInChI=1S/C10H19NO.C3H6O/c1-8-3-5-10(6-4-8)7-11-9(2)12;1-3(2)4/h8,10H,3-7H2,1-2H3,(H,11,12);1-2H3
InChIKeyUUMDPXWHIRXJIM-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594
N-[[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736162
2,3-dimethyl-4-[(4-methylcyclohexyl)methylamino]-4-oxobut-2-enoic acid
CID 76992196
N-(thian-4-ylmethyl)acetamide
CID 91415666
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
[4-(acetamidomethyl)cyclohexyl] nitrate
CID 15133129
2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
CID 120987252
1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate
CID 174642719
2,2-dimethyl-3-[(4-methylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 82820923
5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 63243932
2-chloro-N-[(4-methylcyclohexyl)methylcarbamoyl]acetamide
CID 63244328

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one (CID 143490450) is N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one is CC(=O)NCC1CCC(C)CC1.CC(C)=O.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one?
The InChIKey is UUMDPXWHIRXJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C3H6O/c1-8-3-5-10(6-4-8)7-11-9(2)12;1-3(2)4/h8,10H,3-7H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one?
N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one is sourced from PubChem (CID 143490450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).