acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate

C14H27NO4 — CID 18446943

IUPACacetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
SMILESCC(=O)O.CC(C)(C)OC(=O)NCC1CCCCC1
InChIInChI=1S/C12H23NO2.C2H4O2/c1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10;1-2(3)4/h10H,4-9H2,1-3H3,(H,13,14);1H3,(H,3,4)
InChIKeyUZFNKXLODNOZFA-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.18
Rot. Bonds2

About acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate

acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate (PubChem CID 18446943) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate.

Molecular Properties

Compound Nameacetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
PubChem CID18446943
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameacetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
SMILESCC(=O)O.CC(C)(C)OC(=O)NCC1CCCCC1
InChIInChI=1S/C12H23NO2.C2H4O2/c1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10;1-2(3)4/h10H,4-9H2,1-3H3,(H,13,14);1H3,(H,3,4)
InChIKeyUZFNKXLODNOZFA-UHFFFAOYSA-N
XLogP3.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
acetic acid;tert-butyl N-[[1-(piperidin-1-ylmethyl)piperidin-4-yl]methyl]carbamate
CID 174671121
acetic acid;2-(cyclohexylmethylcarbamoyloxy)propan-2-yl 2-methylpropanoate
CID 69176752
2-(cyclohexylmethylcarbamoyloxy)propan-2-yl acetate
CID 68798986
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882
tert-butyl N-[(3-bromocyclohexyl)methyl]carbamate
CID 104701959
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
CID 119031291
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952

Frequently Asked Questions

What is the IUPAC name of acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate?
The IUPAC name of acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate (CID 18446943) is acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate.
What is the SMILES notation for acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate?
The canonical SMILES for acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate is CC(=O)O.CC(C)(C)OC(=O)NCC1CCCCC1.
What is the InChIKey of acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate?
The InChIKey is UZFNKXLODNOZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C2H4O2/c1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10;1-2(3)4/h10H,4-9H2,1-3H3,(H,13,14);1H3,(H,3,4).
What are the key properties of acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate?
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate has a molecular weight of 273.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate is sourced from PubChem (CID 18446943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).