N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide

C16H24N2O — CID 82132903

IUPACN-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)C2CCCN2)cc1
InChIInChI=1S/C16H24N2O/c1-16(2,3)13-8-6-12(7-9-13)11-18-15(19)14-5-4-10-17-14/h6-9,14,17H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyKDWBAEAXXQYGCB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide

N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 82132903) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID82132903
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)C2CCCN2)cc1
InChIInChI=1S/C16H24N2O/c1-16(2,3)13-8-6-12(7-9-13)11-18-15(19)14-5-4-10-17-14/h6-9,14,17H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyKDWBAEAXXQYGCB-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide (CID 82132903) is N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide is CC(C)(C)c1ccc(CNC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KDWBAEAXXQYGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)13-8-6-12(7-9-13)11-18-15(19)14-5-4-10-17-14/h6-9,14,17H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide?
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 82132903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).