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

C12H21N3O2 — CID 108833334

IUPAC(Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide
SMILESCCCCCN/C=C(/C#N)C(=O)NCCOC
InChIInChI=1S/C12H21N3O2/c1-3-4-5-6-14-10-11(9-13)12(16)15-7-8-17-2/h10,14H,3-8H2,1-2H3,(H,15,16)/b11-10-
InChIKeyFAKKDOHUUOEOKV-KHPPLWFESA-N
MW239.32 g/mol
LogP0.94
Rot. Bonds9

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

(Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide (PubChem CID 108833334) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide
PubChem CID108833334
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide
SMILESCCCCCN/C=C(/C#N)C(=O)NCCOC
InChIInChI=1S/C12H21N3O2/c1-3-4-5-6-14-10-11(9-13)12(16)15-7-8-17-2/h10,14H,3-8H2,1-2H3,(H,15,16)/b11-10-
InChIKeyFAKKDOHUUOEOKV-KHPPLWFESA-N
XLogP0.94
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide with MolForge

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Related Compounds

(Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833226
(Z)-N-butyl-3-(butylamino)-2-cyanoprop-2-enamide
CID 108833598
(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-[2-(dimethylamino)ethylamino]-N-(2-methoxyethyl)prop-2-enamide
CID 108833409
2-[[(Z)-2-cyano-3-(pentylamino)prop-2-enoyl]amino]acetic acid
CID 108844077
(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-3-(pentylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835187
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(3-formamidopropylamino)prop-2-enamide
CID 108834142
2-[[(Z)-3-(3-butoxypropylamino)-2-cyanoprop-2-enoyl]amino]acetic acid
CID 108843977
(Z)-2-cyano-N-[2-(4-hydroxyphenyl)ethyl]-3-(pentylamino)prop-2-enamide
CID 108829245

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide (CID 108833334) is (Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide is CCCCCN/C=C(/C#N)C(=O)NCCOC.
What is the InChIKey of (Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide?
The InChIKey is FAKKDOHUUOEOKV-KHPPLWFESA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-4-5-6-14-10-11(9-13)12(16)15-7-8-17-2/h10,14H,3-8H2,1-2H3,(H,15,16)/b11-10-.
What are the key properties of (Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide?
(Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide has a molecular weight of 239.32 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide is sourced from PubChem (CID 108833334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).