3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide

C16H20N2O — CID 17231122

IUPAC3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide
SMILESCC(C)NC(=O)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C16H20N2O/c1-13(2)17-16(19)15(18-10-6-7-11-18)12-14-8-4-3-5-9-14/h3-11,13,15H,12H2,1-2H3,(H,17,19)
InChIKeyMRGQHLAYWKSEAT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.80
Rot. Bonds5

About 3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide

3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide (PubChem CID 17231122) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide
PubChem CID17231122
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide
SMILESCC(C)NC(=O)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C16H20N2O/c1-13(2)17-16(19)15(18-10-6-7-11-18)12-14-8-4-3-5-9-14/h3-11,13,15H,12H2,1-2H3,(H,17,19)
InChIKeyMRGQHLAYWKSEAT-UHFFFAOYSA-N
XLogP2.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-2-pyrrol-1-ylpropanehydrazide
CID 11842321
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(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
CID 124878513
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CID 121239964
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CID 139213515
N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 5308071
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
(2S)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2597519
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 3148598
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide?
The IUPAC name of 3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide (CID 17231122) is 3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide is CC(C)NC(=O)C(Cc1ccccc1)n1cccc1.
What is the InChIKey of 3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide?
The InChIKey is MRGQHLAYWKSEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(2)17-16(19)15(18-10-6-7-11-18)12-14-8-4-3-5-9-14/h3-11,13,15H,12H2,1-2H3,(H,17,19).
What are the key properties of 3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide?
3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide has a molecular weight of 256.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 17231122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).