N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride

C19H25ClN2O3 — CID 120649276

IUPACN-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N(CCCN)Cc2ccccc2)c1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-23-17-11-16(12-18(13-17)24-2)19(22)21(10-6-9-20)14-15-7-4-3-5-8-15;/h3-5,7-8,11-13H,6,9-10,14,20H2,1-2H3;1H
InChIKeyCLKAQRZGQPJJBM-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.12
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride (PubChem CID 120649276) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
PubChem CID120649276
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC NameN-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N(CCCN)Cc2ccccc2)c1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-23-17-11-16(12-18(13-17)24-2)19(22)21(10-6-9-20)14-15-7-4-3-5-8-15;/h3-5,7-8,11-13H,6,9-10,14,20H2,1-2H3;1H
InChIKeyCLKAQRZGQPJJBM-UHFFFAOYSA-N
XLogP3.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
CID 120648289
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
2-[4-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid
CID 66775190
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 120649981
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
2-[2-[4-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]phenyl]acetic acid
CID 66773977
2-[4-[[(3,5-dimethoxybenzoyl)-[3-(2-methoxyphenyl)propyl]amino]methyl]phenyl]acetic acid
CID 66774386
N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 120649645

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride (CID 120649276) is N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride is COc1cc(OC)cc(C(=O)N(CCCN)Cc2ccccc2)c1.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride?
The InChIKey is CLKAQRZGQPJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c1-23-17-11-16(12-18(13-17)24-2)19(22)21(10-6-9-20)14-15-7-4-3-5-8-15;/h3-5,7-8,11-13H,6,9-10,14,20H2,1-2H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 3.12, 8 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-3,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 120649276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).