3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide

C17H22N2O — CID 110688931

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCn1c(C)ccc1C
InChIInChI=1S/C17H22N2O/c1-13-6-4-5-7-16(13)12-18-17(20)10-11-19-14(2)8-9-15(19)3/h4-9H,10-12H2,1-3H3,(H,18,20)
InChIKeyPWTDDKGMOFBCAN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.12
Rot. Bonds5

About 3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide

3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 110688931) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID110688931
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCn1c(C)ccc1C
InChIInChI=1S/C17H22N2O/c1-13-6-4-5-7-16(13)12-18-17(20)10-11-19-14(2)8-9-15(19)3/h4-9H,10-12H2,1-3H3,(H,18,20)
InChIKeyPWTDDKGMOFBCAN-UHFFFAOYSA-N
XLogP3.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 109017626
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 74248825
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(2-methylphenyl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686856
3-(2-ethyl-6-methylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019154
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide (CID 110688931) is 3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)CCn1c(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is PWTDDKGMOFBCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-6-4-5-7-16(13)12-18-17(20)10-11-19-14(2)8-9-15(19)3/h4-9H,10-12H2,1-3H3,(H,18,20).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide?
3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 270.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 110688931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).