N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride

C20H26Cl2N2O3 — CID 120649981

IUPACN-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
SMILESCCOc1c(Cl)cc(C(=O)N(CCCN)Cc2ccccc2)cc1OC.Cl
InChIInChI=1S/C20H25ClN2O3.ClH/c1-3-26-19-17(21)12-16(13-18(19)25-2)20(24)23(11-7-10-22)14-15-8-5-4-6-9-15;/h4-6,8-9,12-13H,3,7,10-11,14,22H2,1-2H3;1H
InChIKeyFICDSUREIGKLSY-UHFFFAOYSA-N
MW413.35 g/mol
LogP4.16
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride (PubChem CID 120649981) has the molecular formula C20H26Cl2N2O3 and a molecular weight of 413.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
PubChem CID120649981
Molecular FormulaC20H26Cl2N2O3
Molecular Weight413.35 g/mol
Exact Mass412.13
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
SMILESCCOc1c(Cl)cc(C(=O)N(CCCN)Cc2ccccc2)cc1OC.Cl
InChIInChI=1S/C20H25ClN2O3.ClH/c1-3-26-19-17(21)12-16(13-18(19)25-2)20(24)23(11-7-10-22)14-15-8-5-4-6-9-15;/h4-6,8-9,12-13H,3,7,10-11,14,22H2,1-2H3;1H
InChIKeyFICDSUREIGKLSY-UHFFFAOYSA-N
XLogP4.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
3-chloro-N-(2-cyanoethyl)-4-ethoxy-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 78805528
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]benzoic acid
CID 66774944
3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 47068322
2-[4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenyl]acetic acid
CID 66775075
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119189491
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619232

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride (CID 120649981) is N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride is CCOc1c(Cl)cc(C(=O)N(CCCN)Cc2ccccc2)cc1OC.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The InChIKey is FICDSUREIGKLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3.ClH/c1-3-26-19-17(21)12-16(13-18(19)25-2)20(24)23(11-7-10-22)14-15-8-5-4-6-9-15;/h4-6,8-9,12-13H,3,7,10-11,14,22H2,1-2H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride has a molecular weight of 413.35 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride is sourced from PubChem (CID 120649981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).