(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone

C14H20N2O3 — CID 81420115

IUPAC(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
SMILESCCOc1cccc(N)c1C(=O)N1CCCOCC1
InChIInChI=1S/C14H20N2O3/c1-2-19-12-6-3-5-11(15)13(12)14(17)16-7-4-9-18-10-8-16/h3,5-6H,2,4,7-10,15H2,1H3
InChIKeyPDDKIVVPCWSURV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.53
Rot. Bonds3

About (2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone

(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 81420115) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
PubChem CID81420115
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
SMILESCCOc1cccc(N)c1C(=O)N1CCCOCC1
InChIInChI=1S/C14H20N2O3/c1-2-19-12-6-3-5-11(15)13(12)14(17)16-7-4-9-18-10-8-16/h3,5-6H,2,4,7-10,15H2,1H3
InChIKeyPDDKIVVPCWSURV-UHFFFAOYSA-N
XLogP1.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 81395178
(2-amino-6-ethoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 81420725
1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide
CID 81393685
4-(2-amino-6-ethoxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888141
(2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81395801
(2-amino-6-ethoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954877
(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
CID 28689916
(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 81396467
(2-amino-6-ethoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 81394683
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
(6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone
CID 171369332
(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 81394866

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone (CID 81420115) is (2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone is CCOc1cccc(N)c1C(=O)N1CCCOCC1.
What is the InChIKey of (2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is PDDKIVVPCWSURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-12-6-3-5-11(15)13(12)14(17)16-7-4-9-18-10-8-16/h3,5-6H,2,4,7-10,15H2,1H3.
What are the key properties of (2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone?
(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 81420115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).