(4-ethylazepan-1-yl)-phenylmethanone

C15H21NO — CID 23381477

IUPAC(4-ethylazepan-1-yl)-phenylmethanone
SMILESCCC1CCCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-2-13-7-6-11-16(12-10-13)15(17)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3
InChIKeyOBOBITBIGGWDJM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.34
Rot. Bonds2

About (4-ethylazepan-1-yl)-phenylmethanone

(4-ethylazepan-1-yl)-phenylmethanone (PubChem CID 23381477) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4-ethylazepan-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-ethylazepan-1-yl)-phenylmethanone
PubChem CID23381477
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4-ethylazepan-1-yl)-phenylmethanone
SMILESCCC1CCCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-2-13-7-6-11-16(12-10-13)15(17)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3
InChIKeyOBOBITBIGGWDJM-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-ethylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107030649
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid
CID 75356033
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
(4-ethylazepan-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103674673
4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one
CID 103765578
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
CID 119794892
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78992664
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009

Frequently Asked Questions

What is the IUPAC name of (4-ethylazepan-1-yl)-phenylmethanone?
The IUPAC name of (4-ethylazepan-1-yl)-phenylmethanone (CID 23381477) is (4-ethylazepan-1-yl)-phenylmethanone.
What is the SMILES notation for (4-ethylazepan-1-yl)-phenylmethanone?
The canonical SMILES for (4-ethylazepan-1-yl)-phenylmethanone is CCC1CCCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (4-ethylazepan-1-yl)-phenylmethanone?
The InChIKey is OBOBITBIGGWDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-13-7-6-11-16(12-10-13)15(17)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3.
What are the key properties of (4-ethylazepan-1-yl)-phenylmethanone?
(4-ethylazepan-1-yl)-phenylmethanone has a molecular weight of 231.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylazepan-1-yl)-phenylmethanone is sourced from PubChem (CID 23381477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).