(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone

C13H18N2O3 — CID 28689916

IUPAC(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
SMILESCCOc1ccc(C(=O)N2CCOCC2)cc1N
InChIInChI=1S/C13H18N2O3/c1-2-18-12-4-3-10(9-11(12)14)13(16)15-5-7-17-8-6-15/h3-4,9H,2,5-8,14H2,1H3
InChIKeyDQHLBVPJGKJPCT-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.14
Rot. Bonds3

About (3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone

(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 28689916) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
PubChem CID28689916
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
SMILESCCOc1ccc(C(=O)N2CCOCC2)cc1N
InChIInChI=1S/C13H18N2O3/c1-2-18-12-4-3-10(9-11(12)14)13(16)15-5-7-17-8-6-15/h3-4,9H,2,5-8,14H2,1H3
InChIKeyDQHLBVPJGKJPCT-UHFFFAOYSA-N
XLogP1.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.14
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

(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 28689911
4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
CID 83094011
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
1-(3-amino-4-propoxybenzoyl)piperidin-4-one
CID 110498188
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411281
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 81420115

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone (CID 28689916) is (3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone is CCOc1ccc(C(=O)N2CCOCC2)cc1N.
What is the InChIKey of (3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is DQHLBVPJGKJPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-12-4-3-10(9-11(12)14)13(16)15-5-7-17-8-6-15/h3-4,9H,2,5-8,14H2,1H3.
What are the key properties of (3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone?
(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 250.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 28689916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).