(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide

C14H23N3O2 — CID 108839283

IUPAC(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide
SMILESCCCCCN/C=C(/C#N)C(=O)NCC1CCCO1
InChIInChI=1S/C14H23N3O2/c1-2-3-4-7-16-10-12(9-15)14(18)17-11-13-6-5-8-19-13/h10,13,16H,2-8,11H2,1H3,(H,17,18)/b12-10-
InChIKeySZRXHOLCVCVBFV-BENRWUELSA-N
MW265.36 g/mol
LogP1.47
Rot. Bonds8

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

(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide (PubChem CID 108839283) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide
PubChem CID108839283
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide
SMILESCCCCCN/C=C(/C#N)C(=O)NCC1CCCO1
InChIInChI=1S/C14H23N3O2/c1-2-3-4-7-16-10-12(9-15)14(18)17-11-13-6-5-8-19-13/h10,13,16H,2-8,11H2,1H3,(H,17,18)/b12-10-
InChIKeySZRXHOLCVCVBFV-BENRWUELSA-N
XLogP1.47
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.47
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-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide with MolForge

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Related Compounds

ethyl N-[2-[[(Z)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]amino]ethyl]carbamate
CID 108839492
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(3-phenylpropylamino)prop-2-enamide
CID 108839483
(Z)-N-(3-chloropropyl)-2-cyano-3-(oxolan-2-ylmethylamino)prop-2-enamide
CID 108854044
(Z)-2-cyano-3-(cyclopentylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839179
(Z)-2-cyano-N-(2-methylpropyl)-3-(oxolan-2-ylmethylamino)prop-2-enamide
CID 108832867
(Z)-N-butyl-3-(butylamino)-2-cyanoprop-2-enamide
CID 108833598
(Z)-2-cyano-3-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839223
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108839275
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839374
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide
CID 108507620
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pentylamino)prop-2-enamide
CID 108863041

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide (CID 108839283) is (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide is CCCCCN/C=C(/C#N)C(=O)NCC1CCCO1.
What is the InChIKey of (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide?
The InChIKey is SZRXHOLCVCVBFV-BENRWUELSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-4-7-16-10-12(9-15)14(18)17-11-13-6-5-8-19-13/h10,13,16H,2-8,11H2,1H3,(H,17,18)/b12-10-.
What are the key properties of (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide?
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide is sourced from PubChem (CID 108839283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).