N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide

C19H24N2O2 — CID 120649040

IUPACN-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-23-15-17-8-10-18(11-9-17)19(22)21(13-5-12-20)14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-15,20H2,1H3
InChIKeyMOHWQDXHTAWTQM-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.82
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide

N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide (PubChem CID 120649040) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
PubChem CID120649040
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-23-15-17-8-10-18(11-9-17)19(22)21(13-5-12-20)14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-15,20H2,1H3
InChIKeyMOHWQDXHTAWTQM-UHFFFAOYSA-N
XLogP2.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.82
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
methyl 4-[[3-aminopropyl-(2-phenylmethoxybenzoyl)amino]methyl]benzoate
CID 143404942
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
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
[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid
CID 23877767
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide (CID 120649040) is N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide?
The InChIKey is MOHWQDXHTAWTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-23-15-17-8-10-18(11-9-17)19(22)21(13-5-12-20)14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-15,20H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide?
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide has a molecular weight of 312.41 g/mol, XLogP of 2.82, 8 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-(methoxymethyl)benzamide is sourced from PubChem (CID 120649040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).