2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide

C25H29N3O2 — CID 123215323

IUPAC2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide
SMILESNC(=O)CCCCCCc1c(C(=O)Nc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C25H29N3O2/c26-24(29)16-10-2-1-9-15-23-22(25(30)27-21-13-7-4-8-14-21)17-18-28(23)19-20-11-5-3-6-12-20/h3-8,11-14,17-18H,1-2,9-10,15-16,19H2,(H2,26,29)(H,27,30)
InChIKeyDKGCGEDYFOLSIO-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.77
Rot. Bonds11

About 2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide

2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide (PubChem CID 123215323) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide
PubChem CID123215323
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide
SMILESNC(=O)CCCCCCc1c(C(=O)Nc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C25H29N3O2/c26-24(29)16-10-2-1-9-15-23-22(25(30)27-21-13-7-4-8-14-21)17-18-28(23)19-20-11-5-3-6-12-20/h3-8,11-14,17-18H,1-2,9-10,15-16,19H2,(H2,26,29)(H,27,30)
InChIKeyDKGCGEDYFOLSIO-UHFFFAOYSA-N
XLogP4.77
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174887161
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5-[(2-anilino-2-oxoethyl)amino]pentanamide
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CID 142971425
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
CID 55564494
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670
N'-[4-(4-benzyl-3,5-dioxo-1,2,4-thiadiazolidin-2-yl)phenyl]octanediamide
CID 129085013
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide?
The IUPAC name of 2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide (CID 123215323) is 2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide?
The canonical SMILES for 2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide is NC(=O)CCCCCCc1c(C(=O)Nc2ccccc2)ccn1Cc1ccccc1.
What is the InChIKey of 2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide?
The InChIKey is DKGCGEDYFOLSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c26-24(29)16-10-2-1-9-15-23-22(25(30)27-21-13-7-4-8-14-21)17-18-28(23)19-20-11-5-3-6-12-20/h3-8,11-14,17-18H,1-2,9-10,15-16,19H2,(H2,26,29)(H,27,30).
What are the key properties of 2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide?
2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.77, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-7-oxoheptyl)-1-benzyl-N-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 123215323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).