(Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide

C14H24N4O3 — CID 108862940

IUPAC(Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCOCCCN/C=C(/C#N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H24N4O3/c1-20-8-2-3-16-12-13(11-15)14(19)17-4-5-18-6-9-21-10-7-18/h12,16H,2-10H2,1H3,(H,17,19)/b13-12-
InChIKeyONNFLDJPWPLYBX-SEYXRHQNSA-N
MW296.37 g/mol
LogP-0.53
Rot. Bonds9

About (Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide

(Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 108862940) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID108862940
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name(Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCOCCCN/C=C(/C#N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H24N4O3/c1-20-8-2-3-16-12-13(11-15)14(19)17-4-5-18-6-9-21-10-7-18/h12,16H,2-10H2,1H3,(H,17,19)/b13-12-
InChIKeyONNFLDJPWPLYBX-SEYXRHQNSA-N
XLogP-0.53
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pentylamino)prop-2-enamide
CID 108863041
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863067
(Z)-2-cyano-3-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863182
(Z)-2-cyano-3-(2-methoxyethylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863711
ethyl N-[2-[[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]amino]ethyl]carbamate
CID 108863250
(Z)-2-cyano-3-(3-methoxypropylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815372
(Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(3-propan-2-yloxypropylamino)prop-2-enamide
CID 108863993
(Z)-2-cyano-3-(3-formamidopropylamino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836740
(Z)-2-cyano-3-(3-morpholin-4-ylpropylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815450
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylprop-2-enamide
CID 108829587
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863161
(Z)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-morpholin-4-ylethylamino)prop-2-enamide
CID 108836269

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 108862940) is (Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide is COCCCN/C=C(/C#N)C(=O)NCCN1CCOCC1.
What is the InChIKey of (Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is ONNFLDJPWPLYBX-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-20-8-2-3-16-12-13(11-15)14(19)17-4-5-18-6-9-21-10-7-18/h12,16H,2-10H2,1H3,(H,17,19)/b13-12-.
What are the key properties of (Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of -0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 108862940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).