N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide

C16H25NO — CID 155108403

IUPACN-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide
SMILESC=C/C=C(\C=C(/C(C)CC)C1CC1)CNC(C)=O
InChIInChI=1S/C16H25NO/c1-5-7-14(11-17-13(4)18)10-16(12(3)6-2)15-8-9-15/h5,7,10,12,15H,1,6,8-9,11H2,2-4H3,(H,17,18)/b14-7+,16-10+
InChIKeyPZRKIZYTTNBLEH-VLKOFYMLSA-N
MW247.38 g/mol
LogP3.62
Rot. Bonds7

About N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide

N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide (PubChem CID 155108403) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide
PubChem CID155108403
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide
SMILESC=C/C=C(\C=C(/C(C)CC)C1CC1)CNC(C)=O
InChIInChI=1S/C16H25NO/c1-5-7-14(11-17-13(4)18)10-16(12(3)6-2)15-8-9-15/h5,7,10,12,15H,1,6,8-9,11H2,2-4H3,(H,17,18)/b14-7+,16-10+
InChIKeyPZRKIZYTTNBLEH-VLKOFYMLSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide 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

ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide
CID 142287252
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen
CID 143718494
N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide
CID 170190976
N-[(2E)-2-(methylsulfanylmethylidene)but-3-enyl]acetamide
CID 143717677
(2E)-2-butan-2-ylpenta-2,4-dienoic acid
CID 129274160
N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide
CID 143081819
ethane;3-methylhexane;3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide
CID 143682525
4-[[[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 90769692
N-[(4-chlorocyclohexyl)methyl]-2-methylbutanamide
CID 106133616
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
3-methyl-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]-2,4-dihydro-1H-pyrimidine-6-carboxamide
CID 143682526

Frequently Asked Questions

What is the IUPAC name of N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide?
The IUPAC name of N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide (CID 155108403) is N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide.
What is the SMILES notation for N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide?
The canonical SMILES for N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide is C=C/C=C(\C=C(/C(C)CC)C1CC1)CNC(C)=O.
What is the InChIKey of N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide?
The InChIKey is PZRKIZYTTNBLEH-VLKOFYMLSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-7-14(11-17-13(4)18)10-16(12(3)6-2)15-8-9-15/h5,7,10,12,15H,1,6,8-9,11H2,2-4H3,(H,17,18)/b14-7+,16-10+.
What are the key properties of N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide?
N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide has a molecular weight of 247.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2E)-4-cyclopropyl-5-methyl-2-prop-2-enylidenehept-3-enyl]acetamide is sourced from PubChem (CID 155108403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).