N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide

C18H31N5O — CID 145272282

IUPACN-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCn1cc(CCCCC(=C)N(C)CCC)nn1
InChIInChI=1S/C18H31N5O/c1-5-13-22(4)16(3)10-7-8-11-17-15-23(21-20-17)14-9-12-19-18(24)6-2/h6,15H,2-3,5,7-14H2,1,4H3,(H,19,24)
InChIKeyDUBYCVRBQKATCG-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.54
Rot. Bonds13

About N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide

N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide (PubChem CID 145272282) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide
PubChem CID145272282
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCn1cc(CCCCC(=C)N(C)CCC)nn1
InChIInChI=1S/C18H31N5O/c1-5-13-22(4)16(3)10-7-8-11-17-15-23(21-20-17)14-9-12-19-18(24)6-2/h6,15H,2-3,5,7-14H2,1,4H3,(H,19,24)
InChIKeyDUBYCVRBQKATCG-UHFFFAOYSA-N
XLogP2.54
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-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-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
ethane;1-methyl-3-[6-(4-pentyltriazol-1-yl)hexyl]urea
CID 170621416
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
1-hex-5-enyl-4-undecyltriazole
CID 170718913
5-[1-[4-(dimethylamino)-4-oxobutyl]triazol-4-yl]pentanoic acid
CID 104538857
2-methylpropyl 3-[4-[4-[[(E)-4-oxohex-2-enoyl]amino]butyl]triazol-1-yl]propanoate
CID 178007512
ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide
CID 153389003
N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide
CID 170201876
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
CID 163400080
9-(1-decyltriazol-4-yl)nonyl 3,5-bis[6-(hexylamino)-6-oxohexoxy]benzoate
CID 101476796
3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide?
The IUPAC name of N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide (CID 145272282) is N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide is C=CC(=O)NCCCn1cc(CCCCC(=C)N(C)CCC)nn1.
What is the InChIKey of N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide?
The InChIKey is DUBYCVRBQKATCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-5-13-22(4)16(3)10-7-8-11-17-15-23(21-20-17)14-9-12-19-18(24)6-2/h6,15H,2-3,5,7-14H2,1,4H3,(H,19,24).
What are the key properties of N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide?
N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide has a molecular weight of 333.48 g/mol, XLogP of 2.54, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[5-[methyl(propyl)amino]hex-5-enyl]triazol-1-yl]propyl]prop-2-enamide is sourced from PubChem (CID 145272282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).