N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide

C23H29N3O4 — CID 23763521

IUPACN-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(CCCN)Cc2cccc(NC(=O)C3CC3)c2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-29-20-10-9-18(14-21(20)30-2)23(28)26(12-4-11-24)15-16-5-3-6-19(13-16)25-22(27)17-7-8-17/h3,5-6,9-10,13-14,17H,4,7-8,11-12,15,24H2,1-2H3,(H,25,27)
InChIKeyALMZHCBVFFOODG-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.04
Rot. Bonds10

About N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide

N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide (PubChem CID 23763521) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
PubChem CID23763521
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(CCCN)Cc2cccc(NC(=O)C3CC3)c2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-29-20-10-9-18(14-21(20)30-2)23(28)26(12-4-11-24)15-16-5-3-6-19(13-16)25-22(27)17-7-8-17/h3,5-6,9-10,13-14,17H,4,7-8,11-12,15,24H2,1-2H3,(H,25,27)
InChIKeyALMZHCBVFFOODG-UHFFFAOYSA-N
XLogP3.04
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23766917
N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23995243
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide
CID 23931480
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide
CID 23796583
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23736138
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23796119
N-(3-amino-2,2-dimethylpropyl)-4-cyano-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzamide
CID 23986790
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23798992
N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide
CID 143404891

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide (CID 23763521) is N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(CCCN)Cc2cccc(NC(=O)C3CC3)c2)cc1OC.
What is the InChIKey of N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is ALMZHCBVFFOODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-29-20-10-9-18(14-21(20)30-2)23(28)26(12-4-11-24)15-16-5-3-6-19(13-16)25-22(27)17-7-8-17/h3,5-6,9-10,13-14,17H,4,7-8,11-12,15,24H2,1-2H3,(H,25,27).
What are the key properties of N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide?
N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 411.50 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23763521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).