N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide

C18H28N2O — CID 63142507

IUPACN-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccc(C(C)C)cc2)CCNC1
InChIInChI=1S/C18H28N2O/c1-4-9-18(10-11-19-13-18)17(21)20-12-15-5-7-16(8-6-15)14(2)3/h5-8,14,19H,4,9-13H2,1-3H3,(H,20,21)
InChIKeyDYFDVPMDAVXKAR-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.21
Rot. Bonds6

About N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide

N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63142507) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63142507
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccc(C(C)C)cc2)CCNC1
InChIInChI=1S/C18H28N2O/c1-4-9-18(10-11-19-13-18)17(21)20-12-15-5-7-16(8-6-15)14(2)3/h5-8,14,19H,4,9-13H2,1-3H3,(H,20,21)
InChIKeyDYFDVPMDAVXKAR-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
N-[(3-cyanophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63140125
3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
CID 114181937
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide (CID 63142507) is N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2ccc(C(C)C)cc2)CCNC1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is DYFDVPMDAVXKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-9-18(10-11-19-13-18)17(21)20-12-15-5-7-16(8-6-15)14(2)3/h5-8,14,19H,4,9-13H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63142507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).