(E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide

C21H42N2O — CID 139476661

IUPAC(E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide
SMILESCCCCCCCC(CCCCCCC)NC(=O)/C=C/CN(C)C
InChIInChI=1S/C21H42N2O/c1-5-7-9-11-13-16-20(17-14-12-10-8-6-2)22-21(24)18-15-19-23(3)4/h15,18,20H,5-14,16-17,19H2,1-4H3,(H,22,24)/b18-15+
InChIKeyHJJMOLIZKPKZET-OBGWFSINSA-N
MW338.58 g/mol
LogP5.31
Rot. Bonds16

About (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide

(E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide (PubChem CID 139476661) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide
PubChem CID139476661
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name(E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide
SMILESCCCCCCCC(CCCCCCC)NC(=O)/C=C/CN(C)C
InChIInChI=1S/C21H42N2O/c1-5-7-9-11-13-16-20(17-14-12-10-8-6-2)22-21(24)18-15-19-23(3)4/h15,18,20H,5-14,16-17,19H2,1-4H3,(H,22,24)/b18-15+
InChIKeyHJJMOLIZKPKZET-OBGWFSINSA-N
XLogP5.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.31
H-Bond Donors ≤ 51
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 (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-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

N-tridecan-5-ylprop-2-enamide
CID 141277245
N-tetradecan-3-ylprop-2-enamide
CID 54185556
1-[2-(dimethylamino)ethyl]-3-hexadecan-8-ylurea
CID 129287958
N-pentadecan-4-ylacetamide
CID 87419548
tetracosan-7-ylcarbamic acid
CID 174971308
acetamide;2-(dimethylamino)-N-[(Z)-heptacos-18-en-10-yl]acetamide
CID 157145997
9-(prop-2-enoylamino)octadecanoic acid
CID 88669538
(Z)-N,N'-di(heptan-2-yl)but-2-enediamide
CID 87996571
3-(dimethylamino)-N-[(25Z,28Z)-tetratriaconta-25,28-dien-16-yl]propanamide
CID 166762826
trimethyl-[3-(prop-2-enoylamino)pentadecyl]azanium
CID 141026004
2-(prop-2-enoylamino)undecane-1-sulfonic acid
CID 156701088
sodium 2-(prop-2-enoylamino)decane-1-sulfonate
CID 141391834

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide (CID 139476661) is (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide is CCCCCCCC(CCCCCCC)NC(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide?
The InChIKey is HJJMOLIZKPKZET-OBGWFSINSA-N. The full InChI is InChI=1S/C21H42N2O/c1-5-7-9-11-13-16-20(17-14-12-10-8-6-2)22-21(24)18-15-19-23(3)4/h15,18,20H,5-14,16-17,19H2,1-4H3,(H,22,24)/b18-15+.
What are the key properties of (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide?
(E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide has a molecular weight of 338.58 g/mol, XLogP of 5.31, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide is sourced from PubChem (CID 139476661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).