N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide

C18H24N2O — CID 110791914

IUPACN-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCc2cc(C)[nH]c2C)cc1
InChIInChI=1S/C18H24N2O/c1-13-4-6-16(7-5-13)8-9-18(21)19-11-10-17-12-14(2)20-15(17)3/h4-7,12,20H,8-11H2,1-3H3,(H,19,21)
InChIKeyOEKQDIUZTFNIFM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide

N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 110791914) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID110791914
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCc2cc(C)[nH]c2C)cc1
InChIInChI=1S/C18H24N2O/c1-13-4-6-16(7-5-13)8-9-18(21)19-11-10-17-12-14(2)20-15(17)3/h4-7,12,20H,8-11H2,1-3H3,(H,19,21)
InChIKeyOEKQDIUZTFNIFM-UHFFFAOYSA-N
XLogP3.23
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110641563
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
N'-hydroxy-N-[2-(4-methylphenyl)ethyl]butanediamide
CID 162387640
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide (CID 110791914) is N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCc2cc(C)[nH]c2C)cc1.
What is the InChIKey of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is OEKQDIUZTFNIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-4-6-16(7-5-13)8-9-18(21)19-11-10-17-12-14(2)20-15(17)3/h4-7,12,20H,8-11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 284.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110791914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).