N-(3-aminophenyl)-4-(azocan-1-yl)butanamide

C17H27N3O — CID 28799889

IUPACN-(3-aminophenyl)-4-(azocan-1-yl)butanamide
SMILESNc1cccc(NC(=O)CCCN2CCCCCCC2)c1
InChIInChI=1S/C17H27N3O/c18-15-8-6-9-16(14-15)19-17(21)10-7-13-20-11-4-2-1-3-5-12-20/h6,8-9,14H,1-5,7,10-13,18H2,(H,19,21)
InChIKeyYQKMCWYBZDOIJI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.25
Rot. Bonds5

About N-(3-aminophenyl)-4-(azocan-1-yl)butanamide

N-(3-aminophenyl)-4-(azocan-1-yl)butanamide (PubChem CID 28799889) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-(azocan-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-(azocan-1-yl)butanamide
PubChem CID28799889
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-aminophenyl)-4-(azocan-1-yl)butanamide
SMILESNc1cccc(NC(=O)CCCN2CCCCCCC2)c1
InChIInChI=1S/C17H27N3O/c18-15-8-6-9-16(14-15)19-17(21)10-7-13-20-11-4-2-1-3-5-12-20/h6,8-9,14H,1-5,7,10-13,18H2,(H,19,21)
InChIKeyYQKMCWYBZDOIJI-UHFFFAOYSA-N
XLogP3.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
CID 43584150
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969
N-(3-aminophenyl)-4-(2-methylmorpholin-4-yl)butanamide
CID 16779606
N-(3-aminophenyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)butanamide
CID 62490976
N-[9-(3-aminoanilino)-7-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 10120542
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-(azocan-1-yl)butanamide?
The IUPAC name of N-(3-aminophenyl)-4-(azocan-1-yl)butanamide (CID 28799889) is N-(3-aminophenyl)-4-(azocan-1-yl)butanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-(azocan-1-yl)butanamide?
The canonical SMILES for N-(3-aminophenyl)-4-(azocan-1-yl)butanamide is Nc1cccc(NC(=O)CCCN2CCCCCCC2)c1.
What is the InChIKey of N-(3-aminophenyl)-4-(azocan-1-yl)butanamide?
The InChIKey is YQKMCWYBZDOIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-15-8-6-9-16(14-15)19-17(21)10-7-13-20-11-4-2-1-3-5-12-20/h6,8-9,14H,1-5,7,10-13,18H2,(H,19,21).
What are the key properties of N-(3-aminophenyl)-4-(azocan-1-yl)butanamide?
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide has a molecular weight of 289.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-(azocan-1-yl)butanamide is sourced from PubChem (CID 28799889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).