1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C24H30N2O2 — CID 165140067

IUPAC1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1C(C)CCC1C(=O)NC(c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H30N2O2/c1-16(2)19-11-13-21(14-12-19)23(20-8-6-5-7-9-20)25-24(28)22-15-10-17(3)26(22)18(4)27/h5-9,11-14,16-17,22-23H,10,15H2,1-4H3,(H,25,28)
InChIKeyCAELKSSNLGBMIJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.41
Rot. Bonds5

About 1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 165140067) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID165140067
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1C(C)CCC1C(=O)NC(c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H30N2O2/c1-16(2)19-11-13-21(14-12-19)23(20-8-6-5-7-9-20)25-24(28)22-15-10-17(3)26(22)18(4)27/h5-9,11-14,16-17,22-23H,10,15H2,1-4H3,(H,25,28)
InChIKeyCAELKSSNLGBMIJ-UHFFFAOYSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 78798467
ethane;(4R)-4-fluoro-1-methyl-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 171097415
1-(2-acetyl-2-azabicyclo[2.2.2]octane-6-carbonyl)-4-fluoro-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138425
1-(1-acetylpiperidine-3-carbonyl)-4-fluoro-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165139225
[2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid
CID 175570339
2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 171097114
2-acetyl-N-benzhydryl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4879151
(2S,4R)-4-fluoro-1-(2-methylsulfonylacetyl)-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140492
(2S)-1-acetyl-N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-2-carboxamide
CID 171097020
4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165139932
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
cis-(1R,2S)-2-(carbamoylamino)-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171097050

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 165140067) is 1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is CC(=O)N1C(C)CCC1C(=O)NC(c1ccccc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is CAELKSSNLGBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-16(2)19-11-13-21(14-12-19)23(20-8-6-5-7-9-20)25-24(28)22-15-10-17(3)26(22)18(4)27/h5-9,11-14,16-17,22-23H,10,15H2,1-4H3,(H,25,28).
What are the key properties of 1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165140067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).