3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide

C19H23N3O2 — CID 120648912

IUPAC3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)N(CCCN)Cc2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-21-18(23)16-9-5-10-17(13-16)19(24)22(12-6-11-20)14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14,20H2,1H3,(H,21,23)
InChIKeyGWYZEHOHQDDYPW-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.04
Rot. Bonds7

About 3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide

3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide (PubChem CID 120648912) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
PubChem CID120648912
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)N(CCCN)Cc2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-21-18(23)16-9-5-10-17(13-16)19(24)22(12-6-11-20)14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14,20H2,1H3,(H,21,23)
InChIKeyGWYZEHOHQDDYPW-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23824934
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid
CID 23877767
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23798992
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide (CID 120648912) is 3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)N(CCCN)Cc2ccccc2)c1.
What is the InChIKey of 3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is GWYZEHOHQDDYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-18(23)16-9-5-10-17(13-16)19(24)22(12-6-11-20)14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14,20H2,1H3,(H,21,23).
What are the key properties of 3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide?
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 120648912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).