5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide

C25H33N3O3 — CID 59840403

IUPAC5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide
SMILESCOc1cccc(-c2ccc(NC(=O)CCCCN3CCCN(C(C)=O)CC3)cc2)c1
InChIInChI=1S/C25H33N3O3/c1-20(29)28-16-6-15-27(17-18-28)14-4-3-9-25(30)26-23-12-10-21(11-13-23)22-7-5-8-24(19-22)31-2/h5,7-8,10-13,19H,3-4,6,9,14-18H2,1-2H3,(H,26,30)
InChIKeyNDBNOXYDEZQNOE-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.03
Rot. Bonds8

About 5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide

5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide (PubChem CID 59840403) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide
PubChem CID59840403
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide
SMILESCOc1cccc(-c2ccc(NC(=O)CCCCN3CCCN(C(C)=O)CC3)cc2)c1
InChIInChI=1S/C25H33N3O3/c1-20(29)28-16-6-15-27(17-18-28)14-4-3-9-25(30)26-23-12-10-21(11-13-23)22-7-5-8-24(19-22)31-2/h5,7-8,10-13,19H,3-4,6,9,14-18H2,1-2H3,(H,26,30)
InChIKeyNDBNOXYDEZQNOE-UHFFFAOYSA-N
XLogP4.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445
N-[4-(3-acetamidophenyl)phenyl]-5-(4-acetyl-1,4-diazepan-1-yl)pentanamide
CID 59840247
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
CID 118735725
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide
CID 59173863
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 59174008
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
5-piperidin-1-yl-N-(4-thiophen-2-ylphenyl)pentanamide
CID 59840354

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide?
The IUPAC name of 5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide (CID 59840403) is 5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide.
What is the SMILES notation for 5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide?
The canonical SMILES for 5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide is COc1cccc(-c2ccc(NC(=O)CCCCN3CCCN(C(C)=O)CC3)cc2)c1.
What is the InChIKey of 5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide?
The InChIKey is NDBNOXYDEZQNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-20(29)28-16-6-15-27(17-18-28)14-4-3-9-25(30)26-23-12-10-21(11-13-23)22-7-5-8-24(19-22)31-2/h5,7-8,10-13,19H,3-4,6,9,14-18H2,1-2H3,(H,26,30).
What are the key properties of 5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide?
5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide has a molecular weight of 423.56 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide is sourced from PubChem (CID 59840403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).