N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide

C17H22N2O2 — CID 110416240

IUPACN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1cc(C)[nH]c1C
InChIInChI=1S/C17H22N2O2/c1-12-10-15(13(2)19-12)11-18-17(20)9-8-14-6-4-5-7-16(14)21-3/h4-7,10,19H,8-9,11H2,1-3H3,(H,18,20)
InChIKeyHSBZZMYTZKERND-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.89
Rot. Bonds6

About N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 110416240) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
PubChem CID110416240
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1cc(C)[nH]c1C
InChIInChI=1S/C17H22N2O2/c1-12-10-15(13(2)19-12)11-18-17(20)9-8-14-6-4-5-7-16(14)21-3/h4-7,10,19H,8-9,11H2,1-3H3,(H,18,20)
InChIKeyHSBZZMYTZKERND-UHFFFAOYSA-N
XLogP2.89
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110786198
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
3-(2-methoxyphenyl)-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propanamide
CID 110783484
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110602477
N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005
3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
CID 110666107
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 110786205

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide (CID 110416240) is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCc1cc(C)[nH]c1C.
What is the InChIKey of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is HSBZZMYTZKERND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-10-15(13(2)19-12)11-18-17(20)9-8-14-6-4-5-7-16(14)21-3/h4-7,10,19H,8-9,11H2,1-3H3,(H,18,20).
What are the key properties of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide?
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 110416240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).