N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide

C23H30N2O — CID 70967430

IUPACN,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1Cc1cc(C)ccc1-c1ccccc1
InChIInChI=1S/C23H30N2O/c1-4-24(5-2)23(26)22-12-9-15-25(22)17-20-16-18(3)13-14-21(20)19-10-7-6-8-11-19/h6-8,10-11,13-14,16,22H,4-5,9,12,15,17H2,1-3H3
InChIKeyKYDYKBJGZXGKBZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.49
Rot. Bonds6

About N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide

N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 70967430) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID70967430
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1Cc1cc(C)ccc1-c1ccccc1
InChIInChI=1S/C23H30N2O/c1-4-24(5-2)23(26)22-12-9-15-25(22)17-20-16-18(3)13-14-21(20)19-10-7-6-8-11-19/h6-8,10-11,13-14,16,22H,4-5,9,12,15,17H2,1-3H3
InChIKeyKYDYKBJGZXGKBZ-UHFFFAOYSA-N
XLogP4.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
CID 124683732
1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114055337
(2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 67200162
(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2057088
N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 15318368
1-[(2,4-dimethylphenyl)methyl]azepane-2-carboxylic acid
CID 65069954
1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43576049
1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75833581
1-[(2-chloro-4-methylphenyl)methyl]azepane-2-carboxylic acid
CID 106865263
N-ethyl-N-(2-hydroxyethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 110906282
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036442

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide (CID 70967430) is N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)C1CCCN1Cc1cc(C)ccc1-c1ccccc1.
What is the InChIKey of N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KYDYKBJGZXGKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-4-24(5-2)23(26)22-12-9-15-25(22)17-20-16-18(3)13-14-21(20)19-10-7-6-8-11-19/h6-8,10-11,13-14,16,22H,4-5,9,12,15,17H2,1-3H3.
What are the key properties of N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70967430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).