N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride

C16H24ClN3O3 — CID 119778181

IUPACN-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(OC)cc1C(=O)NC1CC1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-17-9-3-4-15(20)19-14-8-7-12(22-2)10-13(14)16(21)18-11-5-6-11;/h7-8,10-11,17H,3-6,9H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyKUDXXIHILOOHQT-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.95
Rot. Bonds8

About N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride

N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride (PubChem CID 119778181) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
PubChem CID119778181
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(OC)cc1C(=O)NC1CC1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-17-9-3-4-15(20)19-14-8-7-12(22-2)10-13(14)16(21)18-11-5-6-11;/h7-8,10-11,17H,3-6,9H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyKUDXXIHILOOHQT-UHFFFAOYSA-N
XLogP1.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
CID 119320449
N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119778200
N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 56782320
N-cyclopropyl-5-methoxy-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119778208
N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119778203
2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
CID 120500588
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56782337
N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
CID 26707492
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119808116
N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide
CID 102695280
N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 86860358

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The IUPAC name of N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride (CID 119778181) is N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride is CNCCCC(=O)Nc1ccc(OC)cc1C(=O)NC1CC1.Cl.
What is the InChIKey of N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The InChIKey is KUDXXIHILOOHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-17-9-3-4-15(20)19-14-8-7-12(22-2)10-13(14)16(21)18-11-5-6-11;/h7-8,10-11,17H,3-6,9H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride is sourced from PubChem (CID 119778181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).