N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide

C23H32N2O4 — CID 122169879

IUPACN-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCOc1ccc(C(NC(=O)CC2(n3cccc3)CCOCC2)C(C)C)cc1OC
InChIInChI=1S/C23H32N2O4/c1-17(2)22(18-7-8-19(27-3)20(15-18)28-4)24-21(26)16-23(9-13-29-14-10-23)25-11-5-6-12-25/h5-8,11-12,15,17,22H,9-10,13-14,16H2,1-4H3,(H,24,26)
InChIKeyPBDNRZGJJCHOCY-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.91
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide

N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide (PubChem CID 122169879) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
PubChem CID122169879
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCOc1ccc(C(NC(=O)CC2(n3cccc3)CCOCC2)C(C)C)cc1OC
InChIInChI=1S/C23H32N2O4/c1-17(2)22(18-7-8-19(27-3)20(15-18)28-4)24-21(26)16-23(9-13-29-14-10-23)25-11-5-6-12-25/h5-8,11-12,15,17,22H,9-10,13-14,16H2,1-4H3,(H,24,26)
InChIKeyPBDNRZGJJCHOCY-UHFFFAOYSA-N
XLogP3.91
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 110205090
(2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 128963077
(3R)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125123544
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 122560161
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide
CID 100636290
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2-methoxyphenoxy)acetamide
CID 7669767
1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexyl]methyl]urea
CID 127255161
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 110204713
N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 110209782
N-[(1S)-1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 125431694
N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide
CID 91640796
2-(4-acetyl-2-methoxyphenoxy)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
CID 8808316

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide (CID 122169879) is N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide is COc1ccc(C(NC(=O)CC2(n3cccc3)CCOCC2)C(C)C)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The InChIKey is PBDNRZGJJCHOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-17(2)22(18-7-8-19(27-3)20(15-18)28-4)24-21(26)16-23(9-13-29-14-10-23)25-11-5-6-12-25/h5-8,11-12,15,17,22H,9-10,13-14,16H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide has a molecular weight of 400.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide is sourced from PubChem (CID 122169879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).