(3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide

C20H30N2O2 — CID 97478866

IUPAC(3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-14(2)21-19(24)17-13-22(18(23)11-20(3,4)5)12-16(17)15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,21,24)/t16-,17-/m0/s1
InChIKeyVJJQESRSJQBGKQ-IRXDYDNUSA-N
MW330.47 g/mol
LogP3.19
Rot. Bonds4

About (3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide

(3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 97478866) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID97478866
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-14(2)21-19(24)17-13-22(18(23)11-20(3,4)5)12-16(17)15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,21,24)/t16-,17-/m0/s1
InChIKeyVJJQESRSJQBGKQ-IRXDYDNUSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide
CID 97478867
3,3-dimethyl-1-[3-phenyl-4-(piperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 42825801
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 120744952
(3S,4S)-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 97479139
(3S,4R)-1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93152505
(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150886
1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680866
1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680933
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 120743530
1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42826287
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3,3-dimethylpentan-1-one
CID 120749498
(3S,4R)-1-benzoyl-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149858

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide (CID 97478866) is (3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)[C@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VJJQESRSJQBGKQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14(2)21-19(24)17-13-22(18(23)11-20(3,4)5)12-16(17)15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,21,24)/t16-,17-/m0/s1.
What are the key properties of (3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide?
(3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 97478866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).