(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide

C14H23N3O — CID 108820190

IUPAC(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\N(C)C1CCCCC1
InChIInChI=1S/C14H23N3O/c1-3-9-16-14(18)12(10-15)11-17(2)13-7-5-4-6-8-13/h11,13H,3-9H2,1-2H3,(H,16,18)/b12-11-
InChIKeyVTIYZKBPHUAHJP-QXMHVHEDSA-N
MW249.36 g/mol
LogP2.18
Rot. Bonds5

About (Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide

(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide (PubChem CID 108820190) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide
PubChem CID108820190
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\N(C)C1CCCCC1
InChIInChI=1S/C14H23N3O/c1-3-9-16-14(18)12(10-15)11-17(2)13-7-5-4-6-8-13/h11,13H,3-9H2,1-2H3,(H,16,18)/b12-11-
InChIKeyVTIYZKBPHUAHJP-QXMHVHEDSA-N
XLogP2.18
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.18
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)-N-(3-chloropropyl)-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
CID 108854042
(Z)-N-(4-butylphenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide
CID 108828019
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide
CID 108830218
(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
CID 108820332
(Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide
CID 108860346
(Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
CID 108834351
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
(Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide
CID 108862693
(Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830427
(Z)-2-cyano-3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815522
1-cyclohexyl-1-cyclopropyl-3-propylurea
CID 110874883

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide (CID 108820190) is (Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\N(C)C1CCCCC1.
What is the InChIKey of (Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide?
The InChIKey is VTIYZKBPHUAHJP-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-16-14(18)12(10-15)11-17(2)13-7-5-4-6-8-13/h11,13H,3-9H2,1-2H3,(H,16,18)/b12-11-.
What are the key properties of (Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide?
(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide has a molecular weight of 249.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide is sourced from PubChem (CID 108820190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).