N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide

C16H20N2O — CID 110700732

IUPACN-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide
SMILESCCN(C(=O)CCc1cccn1C)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-3-18(15-8-5-4-6-9-15)16(19)12-11-14-10-7-13-17(14)2/h4-10,13H,3,11-12H2,1-2H3
InChIKeyOQGKIAHTVUPFTA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.01
Rot. Bonds5

About N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide

N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide (PubChem CID 110700732) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide
PubChem CID110700732
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide
SMILESCCN(C(=O)CCc1cccn1C)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-3-18(15-8-5-4-6-9-15)16(19)12-11-14-10-7-13-17(14)2/h4-10,13H,3,11-12H2,1-2H3
InChIKeyOQGKIAHTVUPFTA-UHFFFAOYSA-N
XLogP3.01
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
ethyl 3-(1-methylpyrrol-2-yl)propanoate
CID 69110219
4-[3-(N-ethylanilino)-3-oxopropyl]benzoic acid
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N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-N-phenyl-3-phenylsulfanylpropanamide
CID 132965267
N-ethyl-N-phenyloctadecanamide
CID 151424183
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CID 119261842
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
N-(3,5-dimethylphenyl)-N-ethyl-3-phenylpropanamide
CID 52574490
N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 4660213
3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide
CID 39131020

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide?
The IUPAC name of N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide (CID 110700732) is N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide?
The canonical SMILES for N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide is CCN(C(=O)CCc1cccn1C)c1ccccc1.
What is the InChIKey of N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide?
The InChIKey is OQGKIAHTVUPFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-18(15-8-5-4-6-9-15)16(19)12-11-14-10-7-13-17(14)2/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide?
N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide has a molecular weight of 256.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 110700732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).