(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate

C16H24N2O2 — CID 79338062

IUPAC(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCC2(N)CCCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-6-8-14(9-7-13)18-15(19)20-12-16(17)10-4-2-3-5-11-16/h6-9H,2-5,10-12,17H2,1H3,(H,18,19)
InChIKeyLVWPQQPLKKOGSB-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.60
Rot. Bonds3

About (1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate

(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate (PubChem CID 79338062) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
PubChem CID79338062
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCC2(N)CCCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-6-8-14(9-7-13)18-15(19)20-12-16(17)10-4-2-3-5-11-16/h6-9H,2-5,10-12,17H2,1H3,(H,18,19)
InChIKeyLVWPQQPLKKOGSB-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
CID 79337548
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
CID 79341766
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
CID 79337748
(1-aminocyclopentyl)methyl N-(3-methoxyphenyl)carbamate
CID 79337035
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
CID 79337235
amino N-(4-methylphenyl)carbamate
CID 22737872
(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate
CID 89344820
2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide
CID 64684135

Frequently Asked Questions

What is the IUPAC name of (1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate?
The IUPAC name of (1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate (CID 79338062) is (1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for (1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate?
The canonical SMILES for (1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCC2(N)CCCCCC2)cc1.
What is the InChIKey of (1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate?
The InChIKey is LVWPQQPLKKOGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-8-14(9-7-13)18-15(19)20-12-16(17)10-4-2-3-5-11-16/h6-9H,2-5,10-12,17H2,1H3,(H,18,19).
What are the key properties of (1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate?
(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate has a molecular weight of 276.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 79338062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).