N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride

C21H27ClN2O2 — CID 120649857

IUPACN-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C21H26N2O2.ClH/c22-13-4-14-23(15-17-5-2-1-3-6-17)21(24)19-9-11-20(12-10-19)25-16-18-7-8-18;/h1-3,5-6,9-12,18H,4,7-8,13-16,22H2;1H
InChIKeyPRMXKMQIIKQQTB-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.89
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride (PubChem CID 120649857) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride
PubChem CID120649857
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C21H26N2O2.ClH/c22-13-4-14-23(15-17-5-2-1-3-6-17)21(24)19-9-11-20(12-10-19)25-16-18-7-8-18;/h1-3,5-6,9-12,18H,4,7-8,13-16,22H2;1H
InChIKeyPRMXKMQIIKQQTB-UHFFFAOYSA-N
XLogP3.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770
N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
CID 120649279
N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide
CID 107365742
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride (CID 120649857) is N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride?
The InChIKey is PRMXKMQIIKQQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c22-13-4-14-23(15-17-5-2-1-3-6-17)21(24)19-9-11-20(12-10-19)25-16-18-7-8-18;/h1-3,5-6,9-12,18H,4,7-8,13-16,22H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride is sourced from PubChem (CID 120649857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).