2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide

C17H26N4O2 — CID 120761171

IUPAC2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1)C(=O)N(C)C
InChIInChI=1S/C17H26N4O2/c1-12(17(23)20(2)3)19-16(22)11-21-9-14(15(18)10-21)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11,18H2,1-3H3,(H,19,22)/t12?,14-,15+/m0/s1
InChIKeyPKNURDBAUKVBLL-JQXSQYPDSA-N
MW318.42 g/mol
LogP0.01
Rot. Bonds5

About 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide

2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 120761171) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
PubChem CID120761171
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1)C(=O)N(C)C
InChIInChI=1S/C17H26N4O2/c1-12(17(23)20(2)3)19-16(22)11-21-9-14(15(18)10-21)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11,18H2,1-3H3,(H,19,22)/t12?,14-,15+/m0/s1
InChIKeyPKNURDBAUKVBLL-JQXSQYPDSA-N
XLogP0.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide;hydrochloride
CID 120759143
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 120761267
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 120760649
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 120762003
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 120759230
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
CID 120760966
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120761400
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120761456
3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide
CID 114263409
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 120761179
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 120761249

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide (CID 120761171) is 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide is CC(NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1)C(=O)N(C)C.
What is the InChIKey of 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The InChIKey is PKNURDBAUKVBLL-JQXSQYPDSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(17(23)20(2)3)19-16(22)11-21-9-14(15(18)10-21)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11,18H2,1-3H3,(H,19,22)/t12?,14-,15+/m0/s1.
What are the key properties of 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 120761171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).