3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide

C19H31NO — CID 126583173

IUPAC3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide
SMILESC=CC/C=C\C=C/C/C=C/CN(C(=O)CC(C)C)C(C)C
InChIInChI=1S/C19H31NO/c1-6-7-8-9-10-11-12-13-14-15-20(18(4)5)19(21)16-17(2)3/h6,8-11,13-14,17-18H,1,7,12,15-16H2,2-5H3/b9-8-,11-10-,14-13+
InChIKeyBSDAJOIYIOOQDC-QPIXVMRCSA-N
MW289.46 g/mol
LogP4.90
Rot. Bonds10

About 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide

3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide (PubChem CID 126583173) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide
PubChem CID126583173
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide
SMILESC=CC/C=C\C=C/C/C=C/CN(C(=O)CC(C)C)C(C)C
InChIInChI=1S/C19H31NO/c1-6-7-8-9-10-11-12-13-14-15-20(18(4)5)19(21)16-17(2)3/h6,8-11,13-14,17-18H,1,7,12,15-16H2,2-5H3/b9-8-,11-10-,14-13+
InChIKeyBSDAJOIYIOOQDC-QPIXVMRCSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide?
The IUPAC name of 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide (CID 126583173) is 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide is C=CC/C=C\C=C/C/C=C/CN(C(=O)CC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide?
The InChIKey is BSDAJOIYIOOQDC-QPIXVMRCSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-7-8-9-10-11-12-13-14-15-20(18(4)5)19(21)16-17(2)3/h6,8-11,13-14,17-18H,1,7,12,15-16H2,2-5H3/b9-8-,11-10-,14-13+.
What are the key properties of 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide?
3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide has a molecular weight of 289.46 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-N-[(2E,5Z,7Z)-undeca-2,5,7,10-tetraenyl]butanamide is sourced from PubChem (CID 126583173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).