(Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile

C16H19N3O3 — CID 108843804

IUPAC(Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESCCOc1ccccc1N/C=C(/C#N)C(=O)N1CCOCC1
InChIInChI=1S/C16H19N3O3/c1-2-22-15-6-4-3-5-14(15)18-12-13(11-17)16(20)19-7-9-21-10-8-19/h3-6,12,18H,2,7-10H2,1H3/b13-12-
InChIKeyKCYGWFCDTCQYNG-SEYXRHQNSA-N
MW301.35 g/mol
LogP1.76
Rot. Bonds5

About (Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile

(Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile (PubChem CID 108843804) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
PubChem CID108843804
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESCCOc1ccccc1N/C=C(/C#N)C(=O)N1CCOCC1
InChIInChI=1S/C16H19N3O3/c1-2-22-15-6-4-3-5-14(15)18-12-13(11-17)16(20)19-7-9-21-10-8-19/h3-6,12,18H,2,7-10H2,1H3/b13-12-
InChIKeyKCYGWFCDTCQYNG-SEYXRHQNSA-N
XLogP1.76
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(2,6-dimethylmorpholine-4-carbonyl)-3-(2-ethoxyanilino)prop-2-enenitrile
CID 108830836
(Z)-3-(3,4-diethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843689
butyl 2-[[(Z)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]amino]benzoate
CID 108843656
(Z)-2-(morpholine-4-carbonyl)-3-(2-nitroanilino)prop-2-enenitrile
CID 108843552
(Z)-3-(2-methoxy-5-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843662
(E)-3-(3-methoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 705339
2-(morpholine-4-carbonyl)-3-(4-phenylmethoxyanilino)prop-2-enenitrile
CID 4603539
(Z)-3-(2,5-dichloroanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843576
N-(2-ethoxyphenyl)morpholine-4-carbothioamide
CID 3863223
2-[2-(2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 4772523
3-[[(Z)-2-cyano-3-(2-ethoxyanilino)prop-2-enoyl]amino]benzoic acid
CID 108816306
ethyl (E)-2-cyano-3-(2-propoxyanilino)prop-2-enoate
CID 8812471

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile (CID 108843804) is (Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile is CCOc1ccccc1N/C=C(/C#N)C(=O)N1CCOCC1.
What is the InChIKey of (Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The InChIKey is KCYGWFCDTCQYNG-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-22-15-6-4-3-5-14(15)18-12-13(11-17)16(20)19-7-9-21-10-8-19/h3-6,12,18H,2,7-10H2,1H3/b13-12-.
What are the key properties of (Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
(Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile has a molecular weight of 301.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 108843804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).