(Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide

C18H24N4O2 — CID 108828204

IUPAC(Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C(C#N)=C\N(C=O)CCCN)cc1
InChIInChI=1S/C18H24N4O2/c1-2-3-5-15-6-8-17(9-7-15)21-18(24)16(12-20)13-22(14-23)11-4-10-19/h6-9,13-14H,2-5,10-11,19H2,1H3,(H,21,24)/b16-13-
InChIKeyLXEKAAUFDOTVIV-SSZFMOIBSA-N
MW328.42 g/mol
LogP2.18
Rot. Bonds10

About (Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide

(Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide (PubChem CID 108828204) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide
PubChem CID108828204
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C(C#N)=C\N(C=O)CCCN)cc1
InChIInChI=1S/C18H24N4O2/c1-2-3-5-15-6-8-17(9-7-15)21-18(24)16(12-20)13-22(14-23)11-4-10-19/h6-9,13-14H,2-5,10-11,19H2,1H3,(H,21,24)/b16-13-
InChIKeyLXEKAAUFDOTVIV-SSZFMOIBSA-N
XLogP2.18
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851972
(Z)-3-[butyl(methyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828201
(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 108821493
(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide
CID 108857562
(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108843029
(Z)-N-(4-butylphenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide
CID 108828019
(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828939
(Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828138
[4-[[(Z)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]amino]phenyl] thiocyanate
CID 108828193
(Z)-3-(4-anilinoanilino)-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828170
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
(Z)-N-(4-butylphenyl)-2-cyano-3-[(1,1-dioxothiolan-3-yl)-methylamino]prop-2-enamide
CID 108828186

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide (CID 108828204) is (Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide is CCCCc1ccc(NC(=O)/C(C#N)=C\N(C=O)CCCN)cc1.
What is the InChIKey of (Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide?
The InChIKey is LXEKAAUFDOTVIV-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-3-5-15-6-8-17(9-7-15)21-18(24)16(12-20)13-22(14-23)11-4-10-19/h6-9,13-14H,2-5,10-11,19H2,1H3,(H,21,24)/b16-13-.
What are the key properties of (Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide?
(Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide has a molecular weight of 328.42 g/mol, XLogP of 2.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-aminopropyl(formyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 108828204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).