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

C16H24N2O3 — CID 43783950

IUPACethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC2CCCCC2OC)cc1
InChIInChI=1S/C16H24N2O3/c1-3-21-16(19)18-13-10-8-12(9-11-13)17-14-6-4-5-7-15(14)20-2/h8-11,14-15,17H,3-7H2,1-2H3,(H,18,19)
InChIKeyRZEORLRCYTZBBD-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.62
Rot. Bonds5

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

ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate (PubChem CID 43783950) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
PubChem CID43783950
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC2CCCCC2OC)cc1
InChIInChI=1S/C16H24N2O3/c1-3-21-16(19)18-13-10-8-12(9-11-13)17-14-6-4-5-7-15(14)20-2/h8-11,14-15,17H,3-7H2,1-2H3,(H,18,19)
InChIKeyRZEORLRCYTZBBD-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003
N-ethyl-4-[(2-methoxycyclohexyl)amino]benzamide
CID 43787667
ethyl 3-[(2-methoxycyclohexyl)amino]benzoate
CID 43774526
ethyl 4-[[(1S,2S)-2-hydroxycyclohexyl]amino]benzoate
CID 56654570
ethyl 2-[(2-methoxycyclohexyl)amino]acetate
CID 60810510
N-(4-bromophenyl)-2-[(2-methoxycyclopentyl)amino]acetamide
CID 62087695
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
N-(2-methoxycyclopentyl)-4-methylsulfonylaniline
CID 55033416
N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43781224
N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
2-[3-[(2-methoxycyclohexyl)amino]phenoxy]acetamide
CID 43785927
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate (CID 43783950) is ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC2CCCCC2OC)cc1.
What is the InChIKey of ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate?
The InChIKey is RZEORLRCYTZBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-16(19)18-13-10-8-12(9-11-13)17-14-6-4-5-7-15(14)20-2/h8-11,14-15,17H,3-7H2,1-2H3,(H,18,19).
What are the key properties of ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate?
ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate is sourced from PubChem (CID 43783950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).