(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide

C15H20N2O — CID 175615486

IUPAC(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide
SMILESC[C@@H]1CN[C@@H](C(=O)Nc2ccc(C3CC3)cc2)C1
InChIInChI=1S/C15H20N2O/c1-10-8-14(16-9-10)15(18)17-13-6-4-12(5-7-13)11-2-3-11/h4-7,10-11,14,16H,2-3,8-9H2,1H3,(H,17,18)/t10-,14+/m0/s1
InChIKeyMOWDUBKTTIOSEM-IINYFYTJSA-N
MW244.34 g/mol
LogP2.50
Rot. Bonds3

About (2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide

(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide (PubChem CID 175615486) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide
PubChem CID175615486
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide
SMILESC[C@@H]1CN[C@@H](C(=O)Nc2ccc(C3CC3)cc2)C1
InChIInChI=1S/C15H20N2O/c1-10-8-14(16-9-10)15(18)17-13-6-4-12(5-7-13)11-2-3-11/h4-7,10-11,14,16H,2-3,8-9H2,1H3,(H,17,18)/t10-,14+/m0/s1
InChIKeyMOWDUBKTTIOSEM-IINYFYTJSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide
CID 123693203
5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide
CID 167988844
3-[[(2S,4S)-4-methylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 126757719
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 67010605
N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide
CID 123436068
4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983
N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide
CID 90397286
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
CID 114422936
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 106911790

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide (CID 175615486) is (2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide is C[C@@H]1CN[C@@H](C(=O)Nc2ccc(C3CC3)cc2)C1.
What is the InChIKey of (2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide?
The InChIKey is MOWDUBKTTIOSEM-IINYFYTJSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-8-14(16-9-10)15(18)17-13-6-4-12(5-7-13)11-2-3-11/h4-7,10-11,14,16H,2-3,8-9H2,1H3,(H,17,18)/t10-,14+/m0/s1.
What are the key properties of (2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide?
(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 175615486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).