(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide

C19H24N4O — CID 108826740

IUPAC(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide
SMILESCC(C)CN(/C=C(/C#N)C(=O)Nc1ccccc1C#N)CC(C)C
InChIInChI=1S/C19H24N4O/c1-14(2)11-23(12-15(3)4)13-17(10-21)19(24)22-18-8-6-5-7-16(18)9-20/h5-8,13-15H,11-12H2,1-4H3,(H,22,24)/b17-13-
InChIKeyYUAWIUYVKUYEMD-LGMDPLHJSA-N
MW324.43 g/mol
LogP3.52
Rot. Bonds7

About (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide

(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide (PubChem CID 108826740) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide
PubChem CID108826740
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide
SMILESCC(C)CN(/C=C(/C#N)C(=O)Nc1ccccc1C#N)CC(C)C
InChIInChI=1S/C19H24N4O/c1-14(2)11-23(12-15(3)4)13-17(10-21)19(24)22-18-8-6-5-7-16(18)9-20/h5-8,13-15H,11-12H2,1-4H3,(H,22,24)/b17-13-
InChIKeyYUAWIUYVKUYEMD-LGMDPLHJSA-N
XLogP3.52
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.52
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)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849394
(Z)-N-benzhydryl-3-[bis(2-methylpropyl)amino]-2-cyanoprop-2-enamide
CID 108840497
(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826367
(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide
CID 108826578
(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide
CID 108821492
(Z)-3-[bis(2-methylpropyl)amino]-N-tert-butyl-2-cyanoprop-2-enamide
CID 108837886
methyl 3-[[(Z)-2-cyano-3-(2-cyanoanilino)-3-oxoprop-1-enyl]amino]propanoate
CID 108826809
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108826583
(Z)-3-[bis(2-methylpropyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108825995
N-(2-cyanophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749554
N-(2-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982248

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide (CID 108826740) is (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide is CC(C)CN(/C=C(/C#N)C(=O)Nc1ccccc1C#N)CC(C)C.
What is the InChIKey of (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide?
The InChIKey is YUAWIUYVKUYEMD-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)11-23(12-15(3)4)13-17(10-21)19(24)22-18-8-6-5-7-16(18)9-20/h5-8,13-15H,11-12H2,1-4H3,(H,22,24)/b17-13-.
What are the key properties of (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide?
(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide has a molecular weight of 324.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide is sourced from PubChem (CID 108826740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).