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

C23H25N3O2 — CID 108839300

IUPAC(Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C23H25N3O2/c24-14-21(23(27)25-15-22-12-7-13-28-22)18-26(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-6,8-11,18,22H,7,12-13,15-17H2,(H,25,27)/b21-18-
InChIKeyFPDMKMOMOXGQGB-UZYVYHOESA-N
MW375.47 g/mol
LogP3.39
Rot. Bonds8

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

(Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide (PubChem CID 108839300) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide
PubChem CID108839300
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C23H25N3O2/c24-14-21(23(27)25-15-22-12-7-13-28-22)18-26(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-6,8-11,18,22H,7,12-13,15-17H2,(H,25,27)/b21-18-
InChIKeyFPDMKMOMOXGQGB-UZYVYHOESA-N
XLogP3.39
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyano-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 2369962
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(3-phenylpropylamino)prop-2-enamide
CID 108839483
(2E,4E)-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylpenta-2,4-dienamide
CID 1350623
(Z)-3-(4-anilinoanilino)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839316
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507589
(E)-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide
CID 1275000
(Z)-3-(1-benzyl-2-methylindol-3-yl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 21212314
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108839275
2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide
CID 3743804
(Z)-2-cyano-3-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839223
(E)-2-cyano-3-(3-hydroxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 768200

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide (CID 108839300) is (Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide is N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)NCC1CCCO1.
What is the InChIKey of (Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The InChIKey is FPDMKMOMOXGQGB-UZYVYHOESA-N. The full InChI is InChI=1S/C23H25N3O2/c24-14-21(23(27)25-15-22-12-7-13-28-22)18-26(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-6,8-11,18,22H,7,12-13,15-17H2,(H,25,27)/b21-18-.
What are the key properties of (Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide?
(Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide has a molecular weight of 375.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 108839300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).