3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride

C22H28ClN3O2 — CID 119760322

IUPAC3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCc1c(NC(=O)C(C)C(N)c2ccccc2)cccc1C(=O)N1CCCC1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-15-18(22(27)25-13-6-7-14-25)11-8-12-19(15)24-21(26)16(2)20(23)17-9-4-3-5-10-17;/h3-5,8-12,16,20H,6-7,13-14,23H2,1-2H3,(H,24,26);1H
InChIKeyZPJLJVFAAKRSPL-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.93
Rot. Bonds5

About 3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride

3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119760322) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
PubChem CID119760322
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCc1c(NC(=O)C(C)C(N)c2ccccc2)cccc1C(=O)N1CCCC1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-15-18(22(27)25-13-6-7-14-25)11-8-12-19(15)24-21(26)16(2)20(23)17-9-4-3-5-10-17;/h3-5,8-12,16,20H,6-7,13-14,23H2,1-2H3,(H,24,26);1H
InChIKeyZPJLJVFAAKRSPL-UHFFFAOYSA-N
XLogP3.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119761379
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CID 120561704
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
CID 119714085
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
CID 119871542
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
2-acetamido-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 78773400
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
CID 119707303

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride (CID 119760322) is 3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride is Cc1c(NC(=O)C(C)C(N)c2ccccc2)cccc1C(=O)N1CCCC1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is ZPJLJVFAAKRSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-15-18(22(27)25-13-6-7-14-25)11-8-12-19(15)24-21(26)16(2)20(23)17-9-4-3-5-10-17;/h3-5,8-12,16,20H,6-7,13-14,23H2,1-2H3,(H,24,26);1H.
What are the key properties of 3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119760322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).