methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate

C15H22N2O3 — CID 43788003

IUPACmethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CCCCC2OC)cc1
InChIInChI=1S/C15H22N2O3/c1-19-14-6-4-3-5-13(14)16-11-7-9-12(10-8-11)17-15(18)20-2/h7-10,13-14,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyNKTLQDGCCQEPKN-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.23
Rot. Bonds4

About methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate

methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate (PubChem CID 43788003) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
PubChem CID43788003
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CCCCC2OC)cc1
InChIInChI=1S/C15H22N2O3/c1-19-14-6-4-3-5-13(14)16-11-7-9-12(10-8-11)17-15(18)20-2/h7-10,13-14,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyNKTLQDGCCQEPKN-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43783950
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
N-ethyl-4-[(2-methoxycyclohexyl)amino]benzamide
CID 43787667
N-(2-methoxycyclopentyl)-4-methylsulfonylaniline
CID 55033416
N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 43780088
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 106594042
N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43781224
N-cyclopropyl-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62087885
5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione
CID 43759039

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate (CID 43788003) is methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate is COC(=O)Nc1ccc(NC2CCCCC2OC)cc1.
What is the InChIKey of methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate?
The InChIKey is NKTLQDGCCQEPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14-6-4-3-5-13(14)16-11-7-9-12(10-8-11)17-15(18)20-2/h7-10,13-14,16H,3-6H2,1-2H3,(H,17,18).
What are the key properties of methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate?
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate is sourced from PubChem (CID 43788003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).