N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride

C18H28Cl2N2O3 — CID 119475557

IUPACN-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)NC2CCC(N)CC2)cc1OCC.Cl
InChIInChI=1S/C18H27ClN2O3.ClH/c1-3-9-24-17-15(19)10-12(11-16(17)23-4-2)18(22)21-14-7-5-13(20)6-8-14;/h10-11,13-14H,3-9,20H2,1-2H3,(H,21,22);1H
InChIKeyDKAIJRPEBJCQPY-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.95
Rot. Bonds7

About N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride

N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride (PubChem CID 119475557) has the molecular formula C18H28Cl2N2O3 and a molecular weight of 391.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
PubChem CID119475557
Molecular FormulaC18H28Cl2N2O3
Molecular Weight391.34 g/mol
Exact Mass390.15
IUPAC NameN-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)NC2CCC(N)CC2)cc1OCC.Cl
InChIInChI=1S/C18H27ClN2O3.ClH/c1-3-9-24-17-15(19)10-12(11-16(17)23-4-2)18(22)21-14-7-5-13(20)6-8-14;/h10-11,13-14H,3-9,20H2,1-2H3,(H,21,22);1H
InChIKeyDKAIJRPEBJCQPY-UHFFFAOYSA-N
XLogP3.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
cis-(1S,3R)-3-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675561
3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride
CID 120600118
3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide
CID 51923190
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
N-(2-amino-1-cyclopropylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119614001
3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride
CID 120575515
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 120506829
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560795
3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide
CID 70790010

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride (CID 119475557) is N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride is CCCOc1c(Cl)cc(C(=O)NC2CCC(N)CC2)cc1OCC.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride?
The InChIKey is DKAIJRPEBJCQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3.ClH/c1-3-9-24-17-15(19)10-12(11-16(17)23-4-2)18(22)21-14-7-5-13(20)6-8-14;/h10-11,13-14H,3-9,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride has a molecular weight of 391.34 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride is sourced from PubChem (CID 119475557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).