(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide

C12H21N3O — CID 108834349

IUPAC(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide
SMILESCCC(C)NC(=O)/C(C#N)=C\NC(C)(C)C
InChIInChI=1S/C12H21N3O/c1-6-9(2)15-11(16)10(7-13)8-14-12(3,4)5/h8-9,14H,6H2,1-5H3,(H,15,16)/b10-8-
InChIKeyFTQLJIQLYCZYMG-NTMALXAHSA-N
MW223.32 g/mol
LogP1.70
Rot. Bonds4

About (Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide

(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide (PubChem CID 108834349) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide
PubChem CID108834349
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide
SMILESCCC(C)NC(=O)/C(C#N)=C\NC(C)(C)C
InChIInChI=1S/C12H21N3O/c1-6-9(2)15-11(16)10(7-13)8-14-12(3,4)5/h8-9,14H,6H2,1-5H3,(H,15,16)/b10-8-
InChIKeyFTQLJIQLYCZYMG-NTMALXAHSA-N
XLogP1.70
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.70
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'}

Analyze (Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-butan-2-yl-2-cyano-3-(methylamino)prop-2-enamide
CID 108834487
2-[[(Z)-3-(butan-2-ylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
CID 108834366
2-[[(Z)-3-(butan-2-ylamino)-2-cyano-3-oxoprop-1-enyl]amino]-3-methylbutanoic acid
CID 108834370
(Z)-N-butan-2-yl-2-cyano-3-(pentylamino)prop-2-enamide
CID 108834447
tert-butyl N-[2-[[(Z)-3-(butan-2-ylamino)-2-cyano-3-oxoprop-1-enyl]amino]ethyl]carbamate
CID 108834658
3-[[(Z)-3-(butan-2-ylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108834291
(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108834513
(Z)-N-butan-2-yl-2-cyano-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108834314
(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide
CID 108829779
2-[[(Z)-3-(butan-2-ylamino)-2-cyano-3-oxoprop-1-enyl]amino]-4-methylsulfanylbutanoic acid
CID 108834373
(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108834476
(Z)-N-butan-2-yl-2-cyano-3-(3-methylanilino)prop-2-enamide
CID 108834405

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide (CID 108834349) is (Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide is CCC(C)NC(=O)/C(C#N)=C\NC(C)(C)C.
What is the InChIKey of (Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide?
The InChIKey is FTQLJIQLYCZYMG-NTMALXAHSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-9(2)15-11(16)10(7-13)8-14-12(3,4)5/h8-9,14H,6H2,1-5H3,(H,15,16)/b10-8-.
What are the key properties of (Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide?
(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide has a molecular weight of 223.32 g/mol, XLogP of 1.70, 4 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-3-(tert-butylamino)-2-cyanoprop-2-enamide is sourced from PubChem (CID 108834349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).