N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride

C15H24ClN3O2 — CID 120827850

IUPACN-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(NC(=O)C(C)C)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-10(2)14(19)18-13-7-5-12(6-8-13)15(20)17-9-11(3)16-4;/h5-8,10-11,16H,9H2,1-4H3,(H,17,20)(H,18,19);1H
InChIKeyFKWCDUAKVBXDDB-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride

N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride (PubChem CID 120827850) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
PubChem CID120827850
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(NC(=O)C(C)C)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-10(2)14(19)18-13-7-5-12(6-8-13)15(20)17-9-11(3)16-4;/h5-8,10-11,16H,9H2,1-4H3,(H,17,20)(H,18,19);1H
InChIKeyFKWCDUAKVBXDDB-UHFFFAOYSA-N
XLogP2.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120654100
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
4-(2-methylpropanoylamino)-N-[(2S)-pentan-2-yl]benzamide
CID 977274
4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
CID 120828485
4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 977275
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride (CID 120827850) is N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride is CNC(C)CNC(=O)c1ccc(NC(=O)C(C)C)cc1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride?
The InChIKey is FKWCDUAKVBXDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-10(2)14(19)18-13-7-5-12(6-8-13)15(20)17-9-11(3)16-4;/h5-8,10-11,16H,9H2,1-4H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride?
N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 120827850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).