N-(2-prop-2-enoxyoctan-4-yloxy)benzamide

C18H27NO3 — CID 174541568

IUPACN-(2-prop-2-enoxyoctan-4-yloxy)benzamide
SMILESC=CCOC(C)CC(CCCC)ONC(=O)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-4-6-12-17(14-15(3)21-13-5-2)22-19-18(20)16-10-8-7-9-11-16/h5,7-11,15,17H,2,4,6,12-14H2,1,3H3,(H,19,20)
InChIKeyYZLXCYVQNAOCRG-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.89
Rot. Bonds11

About N-(2-prop-2-enoxyoctan-4-yloxy)benzamide

N-(2-prop-2-enoxyoctan-4-yloxy)benzamide (PubChem CID 174541568) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-prop-2-enoxyoctan-4-yloxy)benzamide.

Molecular Properties

Compound NameN-(2-prop-2-enoxyoctan-4-yloxy)benzamide
PubChem CID174541568
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-(2-prop-2-enoxyoctan-4-yloxy)benzamide
SMILESC=CCOC(C)CC(CCCC)ONC(=O)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-4-6-12-17(14-15(3)21-13-5-2)22-19-18(20)16-10-8-7-9-11-16/h5,7-11,15,17H,2,4,6,12-14H2,1,3H3,(H,19,20)
InChIKeyYZLXCYVQNAOCRG-UHFFFAOYSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-prop-2-enoxyoctan-4-yloxy)benzamide 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

prop-2-enyl 2-benzamidopropanoate
CID 2910482
N'-(3-methylnon-1-en-4-yl)benzohydrazide
CID 12032198
prop-2-enyl 2-phenylselanylhexanoate
CID 101060195
N'-[(4S)-undec-1-en-4-yl]benzohydrazide
CID 142708092
2-butyl-1-phenyl-3-(4-prop-2-enoxyphenyl)propane-1,3-dione
CID 142717062
N'-hept-1-en-4-ylbenzohydrazide
CID 77139407
N-[7-(tert-butylamino)-6-hydroxyheptan-2-yl]oxybenzamide
CID 154326478
N-(1-chloropentyl)benzamide
CID 154358932
N-(2-phenylhexyl)benzamide
CID 59942443
butyl (2S)-2-benzamidopropanoate
CID 14654754
butyl 2-benzamidopropanoate
CID 14654753
benzoic acid;dec-1-ene-4,6-diol
CID 68742296

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enoxyoctan-4-yloxy)benzamide?
The IUPAC name of N-(2-prop-2-enoxyoctan-4-yloxy)benzamide (CID 174541568) is N-(2-prop-2-enoxyoctan-4-yloxy)benzamide.
What is the SMILES notation for N-(2-prop-2-enoxyoctan-4-yloxy)benzamide?
The canonical SMILES for N-(2-prop-2-enoxyoctan-4-yloxy)benzamide is C=CCOC(C)CC(CCCC)ONC(=O)c1ccccc1.
What is the InChIKey of N-(2-prop-2-enoxyoctan-4-yloxy)benzamide?
The InChIKey is YZLXCYVQNAOCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-6-12-17(14-15(3)21-13-5-2)22-19-18(20)16-10-8-7-9-11-16/h5,7-11,15,17H,2,4,6,12-14H2,1,3H3,(H,19,20).
What are the key properties of N-(2-prop-2-enoxyoctan-4-yloxy)benzamide?
N-(2-prop-2-enoxyoctan-4-yloxy)benzamide has a molecular weight of 305.42 g/mol, XLogP of 3.89, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enoxyoctan-4-yloxy)benzamide is sourced from PubChem (CID 174541568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).