(Z)-N,N'-di(heptan-2-yl)but-2-enediamide

C18H34N2O2 — CID 87996571

IUPAC(Z)-N,N'-di(heptan-2-yl)but-2-enediamide
SMILESCCCCCC(C)NC(=O)/C=C\C(=O)NC(C)CCCCC
InChIInChI=1S/C18H34N2O2/c1-5-7-9-11-15(3)19-17(21)13-14-18(22)20-16(4)12-10-8-6-2/h13-16H,5-12H2,1-4H3,(H,19,21)(H,20,22)/b14-13-
InChIKeyQSJAASNCVYHFNA-YPKPFQOOSA-N
MW310.48 g/mol
LogP3.71
Rot. Bonds12

About (Z)-N,N'-di(heptan-2-yl)but-2-enediamide

(Z)-N,N'-di(heptan-2-yl)but-2-enediamide (PubChem CID 87996571) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is (Z)-N,N'-di(heptan-2-yl)but-2-enediamide.

Molecular Properties

Compound Name(Z)-N,N'-di(heptan-2-yl)but-2-enediamide
PubChem CID87996571
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name(Z)-N,N'-di(heptan-2-yl)but-2-enediamide
SMILESCCCCCC(C)NC(=O)/C=C\C(=O)NC(C)CCCCC
InChIInChI=1S/C18H34N2O2/c1-5-7-9-11-15(3)19-17(21)13-14-18(22)20-16(4)12-10-8-6-2/h13-16H,5-12H2,1-4H3,(H,19,21)(H,20,22)/b14-13-
InChIKeyQSJAASNCVYHFNA-YPKPFQOOSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N,N'-di(heptan-2-yl)but-2-enediamide 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)-4-(heptan-2-ylamino)-4-oxobut-2-enoic acid
CID 139663098
(2E)-N-heptan-2-ylhexa-2,4-dienamide
CID 78841357
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
CID 172681063
CID 172681063
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
(E)-3-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
N-dodecan-2-ylpropanamide
CID 174988669
N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 5059755
(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
CID 46571095
1-heptan-2-yl-3-propan-2-ylurea
CID 71899821
N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
CID 21340416

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-di(heptan-2-yl)but-2-enediamide?
The IUPAC name of (Z)-N,N'-di(heptan-2-yl)but-2-enediamide (CID 87996571) is (Z)-N,N'-di(heptan-2-yl)but-2-enediamide.
What is the SMILES notation for (Z)-N,N'-di(heptan-2-yl)but-2-enediamide?
The canonical SMILES for (Z)-N,N'-di(heptan-2-yl)but-2-enediamide is CCCCCC(C)NC(=O)/C=C\C(=O)NC(C)CCCCC.
What is the InChIKey of (Z)-N,N'-di(heptan-2-yl)but-2-enediamide?
The InChIKey is QSJAASNCVYHFNA-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-5-7-9-11-15(3)19-17(21)13-14-18(22)20-16(4)12-10-8-6-2/h13-16H,5-12H2,1-4H3,(H,19,21)(H,20,22)/b14-13-.
What are the key properties of (Z)-N,N'-di(heptan-2-yl)but-2-enediamide?
(Z)-N,N'-di(heptan-2-yl)but-2-enediamide has a molecular weight of 310.48 g/mol, XLogP of 3.71, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-di(heptan-2-yl)but-2-enediamide is sourced from PubChem (CID 87996571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).