(3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide

C16H25N3O — CID 70761953

IUPAC(3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1C[C@@H](N(C)C)[C@H](c2ccc(C)cc2)C1
InChIInChI=1S/C16H25N3O/c1-5-17-16(20)19-10-14(15(11-19)18(3)4)13-8-6-12(2)7-9-13/h6-9,14-15H,5,10-11H2,1-4H3,(H,17,20)/t14-,15+/m0/s1
InChIKeyOWJJFKBQFDBMDE-LSDHHAIUSA-N
MW275.40 g/mol
LogP2.05
Rot. Bonds3

About (3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide

(3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 70761953) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID70761953
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1C[C@@H](N(C)C)[C@H](c2ccc(C)cc2)C1
InChIInChI=1S/C16H25N3O/c1-5-17-16(20)19-10-14(15(11-19)18(3)4)13-8-6-12(2)7-9-13/h6-9,14-15H,5,10-11H2,1-4H3,(H,17,20)/t14-,15+/m0/s1
InChIKeyOWJJFKBQFDBMDE-LSDHHAIUSA-N
XLogP2.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-2-hydroxyethanone
CID 72929443
1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]pent-3-en-1-one
CID 91940500
cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 70785544
1-N-ethyl-3-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 42826351
1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone
CID 70748789
(3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 93150296
1-[(3R,4S)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 164633120
1-[3-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 70712257
2-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]ethanone
CID 156604026
1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 70745019
[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 70746127
2-(5-acetylthiophen-3-yl)-1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]ethanone
CID 70723093

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 70761953) is (3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide is CCNC(=O)N1C[C@@H](N(C)C)[C@H](c2ccc(C)cc2)C1.
What is the InChIKey of (3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is OWJJFKBQFDBMDE-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-17-16(20)19-10-14(15(11-19)18(3)4)13-8-6-12(2)7-9-13/h6-9,14-15H,5,10-11H2,1-4H3,(H,17,20)/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide?
(3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 70761953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).