1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one

C16H24N2O — CID 18070971

IUPAC1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one
SMILESCCc1ccc(C(N)CN2CCCCCC2=O)cc1
InChIInChI=1S/C16H24N2O/c1-2-13-7-9-14(10-8-13)15(17)12-18-11-5-3-4-6-16(18)19/h7-10,15H,2-6,11-12,17H2,1H3
InChIKeyCAXAKVLHSFQEFO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.65
Rot. Bonds4

About 1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one

1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one (PubChem CID 18070971) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one
PubChem CID18070971
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one
SMILESCCc1ccc(C(N)CN2CCCCCC2=O)cc1
InChIInChI=1S/C16H24N2O/c1-2-13-7-9-14(10-8-13)15(17)12-18-11-5-3-4-6-16(18)19/h7-10,15H,2-6,11-12,17H2,1H3
InChIKeyCAXAKVLHSFQEFO-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-amino-2-(4-ethylphenyl)ethyl]piperidin-2-one
CID 43212282
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]piperidin-2-one
CID 43212281
1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
CID 43212279
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212285
1-[2-amino-2-(4-ethylphenyl)ethyl]-4-methylpyrrolidin-2-one
CID 63104245
2-[2-amino-2-(4-ethylphenyl)ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513402
1-(3-amino-2-phenylpropyl)piperidin-2-one
CID 64538651
1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one
CID 16788509
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212302
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one?
The IUPAC name of 1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one (CID 18070971) is 1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one.
What is the SMILES notation for 1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one?
The canonical SMILES for 1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one is CCc1ccc(C(N)CN2CCCCCC2=O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one?
The InChIKey is CAXAKVLHSFQEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-13-7-9-14(10-8-13)15(17)12-18-11-5-3-4-6-16(18)19/h7-10,15H,2-6,11-12,17H2,1H3.
What are the key properties of 1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one?
1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one is sourced from PubChem (CID 18070971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).