N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide

C16H24N2O2 — CID 63627417

IUPACN-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(C(C)O)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-10-18(11-9-12)16(20)17-15-7-5-14(6-8-15)13(2)19/h5-8,12-13,19H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyUSSCNNDKVLGCLY-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.39
Rot. Bonds2

About N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide

N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide (PubChem CID 63627417) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide
PubChem CID63627417
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(C(C)O)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-10-18(11-9-12)16(20)17-15-7-5-14(6-8-15)13(2)19/h5-8,12-13,19H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyUSSCNNDKVLGCLY-UHFFFAOYSA-N
XLogP3.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 103537365
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]azepane-1-carboxamide
CID 63627419
N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 61341797
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599250
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
N-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 47087366
N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61339985
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide
CID 172895010

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide (CID 63627417) is N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide is CC1CCCN(C(=O)Nc2ccc(C(C)O)cc2)CC1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide?
The InChIKey is USSCNNDKVLGCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-3-10-18(11-9-12)16(20)17-15-7-5-14(6-8-15)13(2)19/h5-8,12-13,19H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide?
N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide is sourced from PubChem (CID 63627417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).