(Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide

C12H21N3O3 — CID 108833226

IUPAC(Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide
SMILESCCOCCCN/C=C(/C#N)C(=O)NCCOC
InChIInChI=1S/C12H21N3O3/c1-3-18-7-4-5-14-10-11(9-13)12(16)15-6-8-17-2/h10,14H,3-8H2,1-2H3,(H,15,16)/b11-10-
InChIKeyCJUSXWXLJJDGIG-KHPPLWFESA-N
MW255.32 g/mol
LogP0.17
Rot. Bonds10

About (Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide

(Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 108833226) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide
PubChem CID108833226
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide
SMILESCCOCCCN/C=C(/C#N)C(=O)NCCOC
InChIInChI=1S/C12H21N3O3/c1-3-18-7-4-5-14-10-11(9-13)12(16)15-6-8-17-2/h10,14H,3-8H2,1-2H3,(H,15,16)/b11-10-
InChIKeyCJUSXWXLJJDGIG-KHPPLWFESA-N
XLogP0.17
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyethyl)-3-(pentylamino)prop-2-enamide
CID 108833334
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(3-formamidopropylamino)prop-2-enamide
CID 108834142
(Z)-2-cyano-3-(2-cyanoethylamino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833537
(Z)-2-cyano-3-(3-formamidopropylamino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836740
(Z)-2-cyano-3-(3-ethoxypropylamino)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 108829137
(Z)-2-cyano-3-[2-(dimethylamino)ethylamino]-N-(2-methoxyethyl)prop-2-enamide
CID 108833409
(Z)-2-cyano-N-(3-ethoxypropyl)-3-[2-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108833979
(Z)-2-cyano-N-(2-methoxyethyl)-3-(prop-2-enylamino)prop-2-enamide
CID 108833377
(Z)-2-cyano-3-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)prop-2-enamide
CID 108836747
(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide
CID 108831372
(Z)-N-butyl-3-(butylamino)-2-cyanoprop-2-enamide
CID 108833598
2-[[(Z)-3-(3-butoxypropylamino)-2-cyanoprop-2-enoyl]amino]acetic acid
CID 108843977

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide (CID 108833226) is (Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide is CCOCCCN/C=C(/C#N)C(=O)NCCOC.
What is the InChIKey of (Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is CJUSXWXLJJDGIG-KHPPLWFESA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-18-7-4-5-14-10-11(9-13)12(16)15-6-8-17-2/h10,14H,3-8H2,1-2H3,(H,15,16)/b11-10-.
What are the key properties of (Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide?
(Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 0.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 108833226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).