(Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide

C19H27N3O — CID 108850857

IUPAC(Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)Nc1c(C)cccc1CC)CCC
InChIInChI=1S/C19H27N3O/c1-5-11-22(12-6-2)14-17(13-20)19(23)21-18-15(4)9-8-10-16(18)7-3/h8-10,14H,5-7,11-12H2,1-4H3,(H,21,23)/b17-14-
InChIKeyGMOHFWVSBWFQDH-VKAVYKQESA-N
MW313.45 g/mol
LogP4.03
Rot. Bonds8

About (Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide

(Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide (PubChem CID 108850857) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
PubChem CID108850857
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name(Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)Nc1c(C)cccc1CC)CCC
InChIInChI=1S/C19H27N3O/c1-5-11-22(12-6-2)14-17(13-20)19(23)21-18-15(4)9-8-10-16(18)7-3/h8-10,14H,5-7,11-12H2,1-4H3,(H,21,23)/b17-14-
InChIKeyGMOHFWVSBWFQDH-VKAVYKQESA-N
XLogP4.03
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850816
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850855
(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide
CID 108821492
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-(propylamino)prop-2-enamide
CID 108850646
(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849394
(Z)-2-cyano-3-[4-(dimethylamino)anilino]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850848
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[2-(2-methylphenyl)ethylamino]prop-2-enamide
CID 108850971
(Z)-3-(4-butylanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850667
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2-ethyl-6-methylphenyl)-N',N'-dipropyloxamide
CID 108512105
(Z)-3-(3-bromoanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850867
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-(2-methoxyethylamino)prop-2-enamide
CID 108850681

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide (CID 108850857) is (Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide is CCCN(/C=C(/C#N)C(=O)Nc1c(C)cccc1CC)CCC.
What is the InChIKey of (Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The InChIKey is GMOHFWVSBWFQDH-VKAVYKQESA-N. The full InChI is InChI=1S/C19H27N3O/c1-5-11-22(12-6-2)14-17(13-20)19(23)21-18-15(4)9-8-10-16(18)7-3/h8-10,14H,5-7,11-12H2,1-4H3,(H,21,23)/b17-14-.
What are the key properties of (Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide has a molecular weight of 313.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108850857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).