N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide

C15H22N2O3 — CID 61289162

IUPACN-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
SMILESNc1ccc(NC(=O)CCCOC2CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c16-12-3-5-13(6-4-12)17-15(18)2-1-9-20-14-7-10-19-11-8-14/h3-6,14H,1-2,7-11,16H2,(H,17,18)
InChIKeyKKMYKEDFKHDJKW-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.18
Rot. Bonds6

About N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide

N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide (PubChem CID 61289162) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
PubChem CID61289162
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
SMILESNc1ccc(NC(=O)CCCOC2CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c16-12-3-5-13(6-4-12)17-15(18)2-1-9-20-14-7-10-19-11-8-14/h3-6,14H,1-2,7-11,16H2,(H,17,18)
InChIKeyKKMYKEDFKHDJKW-UHFFFAOYSA-N
XLogP2.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide
CID 62383127
N-(4-carbamothioylphenyl)-3-(oxan-4-yloxy)propanamide
CID 61287787
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557411
N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200083
N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
CID 55218945
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-yloxy)propanamide
CID 61286331
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide
CID 64745512
N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide
CID 82732033
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide?
The IUPAC name of N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide (CID 61289162) is N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide is Nc1ccc(NC(=O)CCCOC2CCOCC2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide?
The InChIKey is KKMYKEDFKHDJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-12-3-5-13(6-4-12)17-15(18)2-1-9-20-14-7-10-19-11-8-14/h3-6,14H,1-2,7-11,16H2,(H,17,18).
What are the key properties of N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide?
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide has a molecular weight of 278.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide is sourced from PubChem (CID 61289162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).