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

C16H24N2O3 — CID 62383127

IUPACN-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide
SMILESNc1ccc(NC(=O)CCCOCC2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c17-14-3-5-15(6-4-14)18-16(19)2-1-9-21-12-13-7-10-20-11-8-13/h3-6,13H,1-2,7-12,17H2,(H,18,19)
InChIKeyNRTDHNKLEJDZMH-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.43
Rot. Bonds7

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

N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide (PubChem CID 62383127) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide
PubChem CID62383127
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide
SMILESNc1ccc(NC(=O)CCCOCC2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c17-14-3-5-15(6-4-14)18-16(19)2-1-9-21-12-13-7-10-20-11-8-13/h3-6,13H,1-2,7-12,17H2,(H,18,19)
InChIKeyNRTDHNKLEJDZMH-UHFFFAOYSA-N
XLogP2.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.43
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-yloxy)butanamide
CID 61289162
N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200083
N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide
CID 66322803
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide
CID 82732033
4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
CID 120562992
N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide
CID 28535611
1-(4-ethylphenyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111818498
N-(4-aminophenyl)-4-(oxetan-3-ylsulfanyl)butanamide
CID 79326272
N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide
CID 63119525
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62381831

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide?
The IUPAC name of N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide (CID 62383127) is N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide is Nc1ccc(NC(=O)CCCOCC2CCOCC2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide?
The InChIKey is NRTDHNKLEJDZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c17-14-3-5-15(6-4-14)18-16(19)2-1-9-21-12-13-7-10-20-11-8-13/h3-6,13H,1-2,7-12,17H2,(H,18,19).
What are the key properties of N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide?
N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide has a molecular weight of 292.38 g/mol, XLogP of 2.43, 7 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-ylmethoxy)butanamide is sourced from PubChem (CID 62383127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).