(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide

C19H27N3O2 — CID 95307830

IUPAC(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-14(19(24)21(2)13-18(23)20-17-8-9-17)22-11-10-16(12-22)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,20,23)/t14-,16+/m1/s1
InChIKeyZJSYWFIWGZOSAO-ZBFHGGJFSA-N
MW329.44 g/mol
LogP1.60
Rot. Bonds6

About (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide

(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide (PubChem CID 95307830) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
PubChem CID95307830
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-14(19(24)21(2)13-18(23)20-17-8-9-17)22-11-10-16(12-22)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,20,23)/t14-,16+/m1/s1
InChIKeyZJSYWFIWGZOSAO-ZBFHGGJFSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide
CID 86919311
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 120775612
(2S)-N-cyclopropyl-2-phenyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95298740
(2R)-N-cyclopropyl-2-phenyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 98755732
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 86921194
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
(2S)-N-naphthalen-1-yl-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100856193
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95272026
(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851383
(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide (CID 95307830) is (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide is C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The InChIKey is ZJSYWFIWGZOSAO-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(19(24)21(2)13-18(23)20-17-8-9-17)22-11-10-16(12-22)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,20,23)/t14-,16+/m1/s1.
What are the key properties of (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide has a molecular weight of 329.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95307830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).