methyl N-[4-(cyclooctylamino)phenyl]carbamate

C16H24N2O2 — CID 43730245

IUPACmethyl N-[4-(cyclooctylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CCCCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-16(19)18-15-11-9-14(10-12-15)17-13-7-5-3-2-4-6-8-13/h9-13,17H,2-8H2,1H3,(H,18,19)
InChIKeyIJVNFOLWNAYXLU-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.39
Rot. Bonds3

About methyl N-[4-(cyclooctylamino)phenyl]carbamate

methyl N-[4-(cyclooctylamino)phenyl]carbamate (PubChem CID 43730245) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl N-[4-(cyclooctylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(cyclooctylamino)phenyl]carbamate
PubChem CID43730245
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl N-[4-(cyclooctylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CCCCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-16(19)18-15-11-9-14(10-12-15)17-13-7-5-3-2-4-6-8-13/h9-13,17H,2-8H2,1H3,(H,18,19)
InChIKeyIJVNFOLWNAYXLU-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 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 ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 106594042
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
CID 43730246
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
N-[4-(cyclooctylamino)phenyl]cyclopropanecarboxamide
CID 29049901

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(cyclooctylamino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(cyclooctylamino)phenyl]carbamate (CID 43730245) is methyl N-[4-(cyclooctylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(cyclooctylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(cyclooctylamino)phenyl]carbamate is COC(=O)Nc1ccc(NC2CCCCCCC2)cc1.
What is the InChIKey of methyl N-[4-(cyclooctylamino)phenyl]carbamate?
The InChIKey is IJVNFOLWNAYXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-16(19)18-15-11-9-14(10-12-15)17-13-7-5-3-2-4-6-8-13/h9-13,17H,2-8H2,1H3,(H,18,19).
What are the key properties of methyl N-[4-(cyclooctylamino)phenyl]carbamate?
methyl N-[4-(cyclooctylamino)phenyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(cyclooctylamino)phenyl]carbamate is sourced from PubChem (CID 43730245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).