7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide

C20H32N2O2 — CID 119749786

IUPAC7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
SMILESCc1ccccc1C1(CNC(=O)CCCCCCN)CCOCC1
InChIInChI=1S/C20H32N2O2/c1-17-8-5-6-9-18(17)20(11-14-24-15-12-20)16-22-19(23)10-4-2-3-7-13-21/h5-6,8-9H,2-4,7,10-16,21H2,1H3,(H,22,23)
InChIKeyJNPFYQCFPFKSOR-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.07
Rot. Bonds9

About 7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide

7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide (PubChem CID 119749786) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
PubChem CID119749786
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
SMILESCc1ccccc1C1(CNC(=O)CCCCCCN)CCOCC1
InChIInChI=1S/C20H32N2O2/c1-17-8-5-6-9-18(17)20(11-14-24-15-12-20)16-22-19(23)10-4-2-3-7-13-21/h5-6,8-9H,2-4,7,10-16,21H2,1H3,(H,22,23)
InChIKeyJNPFYQCFPFKSOR-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.07
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

2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide
CID 86833759
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119777736
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
CID 110904185
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119749819

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide?
The IUPAC name of 7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide (CID 119749786) is 7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide?
The canonical SMILES for 7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide is Cc1ccccc1C1(CNC(=O)CCCCCCN)CCOCC1.
What is the InChIKey of 7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide?
The InChIKey is JNPFYQCFPFKSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-17-8-5-6-9-18(17)20(11-14-24-15-12-20)16-22-19(23)10-4-2-3-7-13-21/h5-6,8-9H,2-4,7,10-16,21H2,1H3,(H,22,23).
What are the key properties of 7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide?
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide has a molecular weight of 332.49 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide is sourced from PubChem (CID 119749786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).