(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide

C15H25N3O — CID 108834476

IUPAC(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide
SMILESCCC(C)NC(=O)/C(C#N)=C\NC1CCCCC1C
InChIInChI=1S/C15H25N3O/c1-4-12(3)18-15(19)13(9-16)10-17-14-8-6-5-7-11(14)2/h10-12,14,17H,4-8H2,1-3H3,(H,18,19)/b13-10-
InChIKeyNGOWTAVGJPFGSB-RAXLEYEMSA-N
MW263.38 g/mol
LogP2.48
Rot. Bonds5

About (Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide

(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide (PubChem CID 108834476) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide
PubChem CID108834476
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide
SMILESCCC(C)NC(=O)/C(C#N)=C\NC1CCCCC1C
InChIInChI=1S/C15H25N3O/c1-4-12(3)18-15(19)13(9-16)10-17-14-8-6-5-7-11(14)2/h10-12,14,17H,4-8H2,1-3H3,(H,18,19)/b13-10-
InChIKeyNGOWTAVGJPFGSB-RAXLEYEMSA-N
XLogP2.48
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
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-N-[1-(4-ethylphenyl)ethyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108848582
(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide
CID 108840058
(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108862697
(Z)-N-butan-2-yl-2-cyano-3-(methylamino)prop-2-enamide
CID 108834487
N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 11897539
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108847836
(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide
CID 108834349
(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 108822574
1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 124715194
2-[[(Z)-3-(butan-2-ylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
CID 108834366
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835446
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108840798

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
The IUPAC name of (Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide (CID 108834476) is (Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
The canonical SMILES for (Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide is CCC(C)NC(=O)/C(C#N)=C\NC1CCCCC1C.
What is the InChIKey of (Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
The InChIKey is NGOWTAVGJPFGSB-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12(3)18-15(19)13(9-16)10-17-14-8-6-5-7-11(14)2/h10-12,14,17H,4-8H2,1-3H3,(H,18,19)/b13-10-.
What are the key properties of (Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide has a molecular weight of 263.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide is sourced from PubChem (CID 108834476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).