4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride

C19H24ClN3O2 — CID 120611177

IUPAC4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
SMILESCc1cc(NC(=O)CCc2ccccc2N)ccc1C(=O)N(C)C.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-13-12-15(9-10-16(13)19(24)22(2)3)21-18(23)11-8-14-6-4-5-7-17(14)20;/h4-7,9-10,12H,8,11,20H2,1-3H3,(H,21,23);1H
InChIKeyKNTAOHIALVMXFX-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.27
Rot. Bonds5

About 4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride

4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride (PubChem CID 120611177) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
PubChem CID120611177
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
SMILESCc1cc(NC(=O)CCc2ccccc2N)ccc1C(=O)N(C)C.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-13-12-15(9-10-16(13)19(24)22(2)3)21-18(23)11-8-14-6-4-5-7-17(14)20;/h4-7,9-10,12H,8,11,20H2,1-3H3,(H,21,23);1H
InChIKeyKNTAOHIALVMXFX-UHFFFAOYSA-N
XLogP3.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride
CID 120608927
4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
CID 119332645
4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
CID 119332625
4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
CID 120563222
2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 110633818
4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
CID 120608128
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride
CID 120610743
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 120611044
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
4-acetamido-N,N,2-trimethylbenzamide
CID 21338871

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride?
The IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride (CID 120611177) is 4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride?
The canonical SMILES for 4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride is Cc1cc(NC(=O)CCc2ccccc2N)ccc1C(=O)N(C)C.Cl.
What is the InChIKey of 4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride?
The InChIKey is KNTAOHIALVMXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-13-12-15(9-10-16(13)19(24)22(2)3)21-18(23)11-8-14-6-4-5-7-17(14)20;/h4-7,9-10,12H,8,11,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride?
4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride is sourced from PubChem (CID 120611177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).