N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide

C17H26N2O — CID 155981160

IUPACN-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(CN2CCC(C(=O)NC(C)(C)C)C2)c1
InChIInChI=1S/C17H26N2O/c1-13-6-5-7-14(10-13)11-19-9-8-15(12-19)16(20)18-17(2,3)4/h5-7,10,15H,8-9,11-12H2,1-4H3,(H,18,20)
InChIKeyPCNJPZJVKCIZBX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.73
Rot. Bonds3

About N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide

N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 155981160) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID155981160
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(CN2CCC(C(=O)NC(C)(C)C)C2)c1
InChIInChI=1S/C17H26N2O/c1-13-6-5-7-14(10-13)11-19-9-8-15(12-19)16(20)18-17(2,3)4/h5-7,10,15H,8-9,11-12H2,1-4H3,(H,18,20)
InChIKeyPCNJPZJVKCIZBX-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
N-(3,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919218
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076504
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46776363
N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917331
1-[1-[(3-methylphenyl)methyl]piperidin-3-yl]butan-1-one
CID 83982657

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide (CID 155981160) is N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide is Cc1cccc(CN2CCC(C(=O)NC(C)(C)C)C2)c1.
What is the InChIKey of N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is PCNJPZJVKCIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-6-5-7-14(10-13)11-19-9-8-15(12-19)16(20)18-17(2,3)4/h5-7,10,15H,8-9,11-12H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide?
N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 155981160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).