N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide

C14H20N2O2 — CID 79151936

IUPACN-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
SMILESO=C(Nc1cccc(CO)c1)N1CCCCCC1
InChIInChI=1S/C14H20N2O2/c17-11-12-6-5-7-13(10-12)15-14(18)16-8-3-1-2-4-9-16/h5-7,10,17H,1-4,8-9,11H2,(H,15,18)
InChIKeyVOSAIHVBZWWWIK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.59
Rot. Bonds2

About N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide

N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide (PubChem CID 79151936) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
PubChem CID79151936
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
SMILESO=C(Nc1cccc(CO)c1)N1CCCCCC1
InChIInChI=1S/C14H20N2O2/c17-11-12-6-5-7-13(10-12)15-14(18)16-8-3-1-2-4-9-16/h5-7,10,17H,1-4,8-9,11H2,(H,15,18)
InChIKeyVOSAIHVBZWWWIK-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
CID 115339440
N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 135144227
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743688
N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide
CID 56584263
N-[3-(4-hydroxybut-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157672
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524787
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 52690341

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide (CID 79151936) is N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide is O=C(Nc1cccc(CO)c1)N1CCCCCC1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide?
The InChIKey is VOSAIHVBZWWWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-11-12-6-5-7-13(10-12)15-14(18)16-8-3-1-2-4-9-16/h5-7,10,17H,1-4,8-9,11H2,(H,15,18).
What are the key properties of N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide?
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide is sourced from PubChem (CID 79151936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).