1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C25H30N2O2 — CID 110230861

IUPAC1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C25H30N2O2/c1-26(2)24(29)25(15-16-27(18-25)23(28)20-12-8-13-20)17-21-11-6-7-14-22(21)19-9-4-3-5-10-19/h3-7,9-11,14,20H,8,12-13,15-18H2,1-2H3
InChIKeyAKXSSEAFUBJDPX-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.00
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110230861) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110230861
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C25H30N2O2/c1-26(2)24(29)25(15-16-27(18-25)23(28)20-12-8-13-20)17-21-11-6-7-14-22(21)19-9-4-3-5-10-19/h3-7,9-11,14,20H,8,12-13,15-18H2,1-2H3
InChIKeyAKXSSEAFUBJDPX-UHFFFAOYSA-N
XLogP4.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231805
(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609672
1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 155982821
N,N-dimethyl-1-(2-methylpropanoyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110083632
1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230948
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92604751
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463
(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605059
(3R)-1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579134
(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92605155
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92578856
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609342

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110230861) is 1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)C1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is AKXSSEAFUBJDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-26(2)24(29)25(15-16-27(18-25)23(28)20-12-8-13-20)17-21-11-6-7-14-22(21)19-9-4-3-5-10-19/h3-7,9-11,14,20H,8,12-13,15-18H2,1-2H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110230861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).