N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide

C16H23N3O2 — CID 119780846

IUPACN-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C(Cc1ccccc1)NC(=O)C1CCNC1
InChIInChI=1S/C16H23N3O2/c1-19(2)16(21)14(10-12-6-4-3-5-7-12)18-15(20)13-8-9-17-11-13/h3-7,13-14,17H,8-11H2,1-2H3,(H,18,20)
InChIKeyJTZKZHDDQKKRPE-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.41
Rot. Bonds5

About N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide

N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 119780846) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
PubChem CID119780846
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C(Cc1ccccc1)NC(=O)C1CCNC1
InChIInChI=1S/C16H23N3O2/c1-19(2)16(21)14(10-12-6-4-3-5-7-12)18-15(20)13-8-9-17-11-13/h3-7,13-14,17H,8-11H2,1-2H3,(H,18,20)
InChIKeyJTZKZHDDQKKRPE-UHFFFAOYSA-N
XLogP0.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119780835
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 104902032
4-(aminomethyl)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 14837094
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
(2R)-3-(4-hydroxyphenyl)-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 104905636
(2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide
CID 89347210
N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 71999049
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623
N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 119794217
N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 63005398
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
CID 119802857

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide (CID 119780846) is N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide is CN(C)C(=O)C(Cc1ccccc1)NC(=O)C1CCNC1.
What is the InChIKey of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is JTZKZHDDQKKRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(2)16(21)14(10-12-6-4-3-5-7-12)18-15(20)13-8-9-17-11-13/h3-7,13-14,17H,8-11H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide?
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119780846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).