N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C16H23N3O2 — CID 106979608

IUPACN-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C(C)C)CCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)16(8-9-17-10-16)15(21)19-14-6-4-13(5-7-14)18-12(3)20/h4-7,11,17H,8-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWUOYXSIAPADGRR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.22
Rot. Bonds4

About N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979608) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979608
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C(C)C)CCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)16(8-9-17-10-16)15(21)19-14-6-4-13(5-7-14)18-12(3)20/h4-7,11,17H,8-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWUOYXSIAPADGRR-UHFFFAOYSA-N
XLogP2.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
CID 107588576
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908
2-fluoro-4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 107795101
3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
N-(1-ethyl-6-oxo-3-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980000
N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980846
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981090
N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979999
2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 106980832

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979608) is N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2(C(C)C)CCNC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is WUOYXSIAPADGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)16(8-9-17-10-16)15(21)19-14-6-4-13(5-7-14)18-12(3)20/h4-7,11,17H,8-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).