N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide

C33H36N4O3 — CID 139935698

IUPACN-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide
SMILESCOCCCNC(=O)n1cc(-c2cccc3ccccc23)cc1Cc1cncn1CCCOCc1ccccc1
InChIInChI=1S/C33H36N4O3/c1-39-18-8-16-35-33(38)37-23-28(32-15-7-13-27-12-5-6-14-31(27)32)20-29(37)21-30-22-34-25-36(30)17-9-19-40-24-26-10-3-2-4-11-26/h2-7,10-15,20,22-23,25H,8-9,16-19,21,24H2,1H3,(H,35,38)
InChIKeyXQONZDWXIYKAPE-UHFFFAOYSA-N
MW536.68 g/mol
LogP6.30
Rot. Bonds13

About N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide

N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide (PubChem CID 139935698) has the molecular formula C33H36N4O3 and a molecular weight of 536.68 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide
PubChem CID139935698
Molecular FormulaC33H36N4O3
Molecular Weight536.68 g/mol
Exact Mass536.28
IUPAC NameN-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide
SMILESCOCCCNC(=O)n1cc(-c2cccc3ccccc23)cc1Cc1cncn1CCCOCc1ccccc1
InChIInChI=1S/C33H36N4O3/c1-39-18-8-16-35-33(38)37-23-28(32-15-7-13-27-12-5-6-14-31(27)32)20-29(37)21-30-22-34-25-36(30)17-9-19-40-24-26-10-3-2-4-11-26/h2-7,10-15,20,22-23,25H,8-9,16-19,21,24H2,1H3,(H,35,38)
InChIKeyXQONZDWXIYKAPE-UHFFFAOYSA-N
XLogP6.30
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide
CID 139978647
N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide
CID 139904500
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 111404807
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-phenylmethoxyethyl)guanidine
CID 111965273
1-(3-methoxypropyl)-2-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110973519
2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24685185
2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
CID 41365702
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide
CID 4994962
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 24682780

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide (CID 139935698) is N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide is COCCCNC(=O)n1cc(-c2cccc3ccccc23)cc1Cc1cncn1CCCOCc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide?
The InChIKey is XQONZDWXIYKAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O3/c1-39-18-8-16-35-33(38)37-23-28(32-15-7-13-27-12-5-6-14-31(27)32)20-29(37)21-30-22-34-25-36(30)17-9-19-40-24-26-10-3-2-4-11-26/h2-7,10-15,20,22-23,25H,8-9,16-19,21,24H2,1H3,(H,35,38).
What are the key properties of N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide?
N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide has a molecular weight of 536.68 g/mol, XLogP of 6.30, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide is sourced from PubChem (CID 139935698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).