(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate

C15H22N2O3 — CID 79337138

IUPAC(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC2(N)CCCCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-13-7-5-12(6-8-13)17-14(18)20-11-15(16)9-3-2-4-10-15/h5-8H,2-4,9-11,16H2,1H3,(H,17,18)
InChIKeyIWUTVHSNKUFDNU-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.91
Rot. Bonds4

About (1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate

(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate (PubChem CID 79337138) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
PubChem CID79337138
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC2(N)CCCCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-13-7-5-12(6-8-13)17-14(18)20-11-15(16)9-3-2-4-10-15/h5-8H,2-4,9-11,16H2,1H3,(H,17,18)
InChIKeyIWUTVHSNKUFDNU-UHFFFAOYSA-N
XLogP2.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062
(1-aminocyclopentyl)methyl N-(3-methoxyphenyl)carbamate
CID 79337035
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
CID 79337548
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
CID 79341766
[(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
CID 7263551
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
CID 79337748
3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate
CID 6929334
(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate
CID 4749408
[(1S,7S)-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
CID 7263555
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate
CID 4077070
2-(1-aminocyclopentyl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64677584

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of (1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate (CID 79337138) is (1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for (1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for (1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCC2(N)CCCCC2)cc1.
What is the InChIKey of (1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate?
The InChIKey is IWUTVHSNKUFDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-7-5-12(6-8-13)17-14(18)20-11-15(16)9-3-2-4-10-15/h5-8H,2-4,9-11,16H2,1H3,(H,17,18).
What are the key properties of (1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate?
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 79337138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).