N-phenylmethoxyazepane-1-carboxamide

C14H20N2O2 — CID 112689523

IUPACN-phenylmethoxyazepane-1-carboxamide
SMILESO=C(NOCc1ccccc1)N1CCCCCC1
InChIInChI=1S/C14H20N2O2/c17-14(16-10-6-1-2-7-11-16)15-18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,15,17)
InChIKeyFXHDXKFCQDDCLW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.70
Rot. Bonds3

About N-phenylmethoxyazepane-1-carboxamide

N-phenylmethoxyazepane-1-carboxamide (PubChem CID 112689523) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-phenylmethoxyazepane-1-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxyazepane-1-carboxamide
PubChem CID112689523
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-phenylmethoxyazepane-1-carboxamide
SMILESO=C(NOCc1ccccc1)N1CCCCCC1
InChIInChI=1S/C14H20N2O2/c17-14(16-10-6-1-2-7-11-16)15-18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,15,17)
InChIKeyFXHDXKFCQDDCLW-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-phenylmethoxypiperidine-1-carboxamide
CID 110933496
benzyl piperidine-1-carboxylate
CID 158057698
(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
CID 32578740
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
N-benzylazonane-1-carboxamide
CID 130689649
N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86816169
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide
CID 95164710
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
benzyl N-piperidin-1-ylcarbamate
CID 3770567
2-cyclobutyl-N-phenylmethoxyacetamide
CID 103706482
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxyazepane-1-carboxamide?
The IUPAC name of N-phenylmethoxyazepane-1-carboxamide (CID 112689523) is N-phenylmethoxyazepane-1-carboxamide.
What is the SMILES notation for N-phenylmethoxyazepane-1-carboxamide?
The canonical SMILES for N-phenylmethoxyazepane-1-carboxamide is O=C(NOCc1ccccc1)N1CCCCCC1.
What is the InChIKey of N-phenylmethoxyazepane-1-carboxamide?
The InChIKey is FXHDXKFCQDDCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(16-10-6-1-2-7-11-16)15-18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,15,17).
What are the key properties of N-phenylmethoxyazepane-1-carboxamide?
N-phenylmethoxyazepane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxyazepane-1-carboxamide is sourced from PubChem (CID 112689523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).