N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide

C22H27ClN2O2 — CID 72545743

IUPACN-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1OCc1cccc(Cl)c1)C1CCCC(N)C1
InChIInChI=1S/C22H27ClN2O2/c1-2-25(19-10-6-9-18(24)14-19)22(26)20-11-3-4-12-21(20)27-15-16-7-5-8-17(23)13-16/h3-5,7-8,11-13,18-19H,2,6,9-10,14-15,24H2,1H3
InChIKeyORYQJHVDMPWBGP-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.65
Rot. Bonds6

About N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide

N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide (PubChem CID 72545743) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide.

Molecular Properties

Compound NameN-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide
PubChem CID72545743
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1OCc1cccc(Cl)c1)C1CCCC(N)C1
InChIInChI=1S/C22H27ClN2O2/c1-2-25(19-10-6-9-18(24)14-19)22(26)20-11-3-4-12-21(20)27-15-16-7-5-8-17(23)13-16/h3-5,7-8,11-13,18-19H,2,6,9-10,14-15,24H2,1H3
InChIKeyORYQJHVDMPWBGP-UHFFFAOYSA-N
XLogP4.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide?
The IUPAC name of N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide (CID 72545743) is N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide.
What is the SMILES notation for N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide?
The canonical SMILES for N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide is CCN(C(=O)c1ccccc1OCc1cccc(Cl)c1)C1CCCC(N)C1.
What is the InChIKey of N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide?
The InChIKey is ORYQJHVDMPWBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-2-25(19-10-6-9-18(24)14-19)22(26)20-11-3-4-12-21(20)27-15-16-7-5-8-17(23)13-16/h3-5,7-8,11-13,18-19H,2,6,9-10,14-15,24H2,1H3.
What are the key properties of N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide?
N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide has a molecular weight of 386.92 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclohexyl)-2-[(3-chlorophenyl)methoxy]-N-ethylbenzamide is sourced from PubChem (CID 72545743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).