(2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide

C22H32N2O3 — CID 128963077

IUPAC(2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCOc1ccc(C(NC(=O)[C@@H](CC(C)C)n2cccc2)C(C)C)cc1OC
InChIInChI=1S/C22H32N2O3/c1-15(2)13-18(24-11-7-8-12-24)22(25)23-21(16(3)4)17-9-10-19(26-5)20(14-17)27-6/h7-12,14-16,18,21H,13H2,1-6H3,(H,23,25)/t18-,21?/m1/s1
InChIKeyDZUNKZZWPJJZSG-ITUIMRKVSA-N
MW372.51 g/mol
LogP4.61
Rot. Bonds9

About (2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide

(2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide (PubChem CID 128963077) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound Name(2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide
PubChem CID128963077
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCOc1ccc(C(NC(=O)[C@@H](CC(C)C)n2cccc2)C(C)C)cc1OC
InChIInChI=1S/C22H32N2O3/c1-15(2)13-18(24-11-7-8-12-24)22(25)23-21(16(3)4)17-9-10-19(26-5)20(14-17)27-6/h7-12,14-16,18,21H,13H2,1-6H3,(H,23,25)/t18-,21?/m1/s1
InChIKeyDZUNKZZWPJJZSG-ITUIMRKVSA-N
XLogP4.61
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125123544
N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 122169879
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
N-[(1S)-1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 125431694
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
2-[[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]acetic acid
CID 82314353
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720295
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea
CID 127255329
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
CID 14816122
4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide
CID 3506875
1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexyl]methyl]urea
CID 127255161

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide?
The IUPAC name of (2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide (CID 128963077) is (2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for (2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide?
The canonical SMILES for (2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide is COc1ccc(C(NC(=O)[C@@H](CC(C)C)n2cccc2)C(C)C)cc1OC.
What is the InChIKey of (2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide?
The InChIKey is DZUNKZZWPJJZSG-ITUIMRKVSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-15(2)13-18(24-11-7-8-12-24)22(25)23-21(16(3)4)17-9-10-19(26-5)20(14-17)27-6/h7-12,14-16,18,21H,13H2,1-6H3,(H,23,25)/t18-,21?/m1/s1.
What are the key properties of (2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide?
(2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide has a molecular weight of 372.51 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 128963077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).