(2Z)-2-pentylidene-8-phenyloctanamide

C19H29NO — CID 118453451

IUPAC(2Z)-2-pentylidene-8-phenyloctanamide
SMILESCCCC/C=C(/CCCCCCc1ccccc1)C(N)=O
InChIInChI=1S/C19H29NO/c1-2-3-7-15-18(19(20)21)16-11-5-4-8-12-17-13-9-6-10-14-17/h6,9-10,13-15H,2-5,7-8,11-12,16H2,1H3,(H2,20,21)/b18-15-
InChIKeyTVPQYJNUSFOLPE-SDXDJHTJSA-N
MW287.45 g/mol
LogP4.78
Rot. Bonds11

About (2Z)-2-pentylidene-8-phenyloctanamide

(2Z)-2-pentylidene-8-phenyloctanamide (PubChem CID 118453451) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (2Z)-2-pentylidene-8-phenyloctanamide.

Molecular Properties

Compound Name(2Z)-2-pentylidene-8-phenyloctanamide
PubChem CID118453451
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(2Z)-2-pentylidene-8-phenyloctanamide
SMILESCCCC/C=C(/CCCCCCc1ccccc1)C(N)=O
InChIInChI=1S/C19H29NO/c1-2-3-7-15-18(19(20)21)16-11-5-4-8-12-17-13-9-6-10-14-17/h6,9-10,13-15H,2-5,7-8,11-12,16H2,1H3,(H2,20,21)/b18-15-
InChIKeyTVPQYJNUSFOLPE-SDXDJHTJSA-N
XLogP4.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-dodecylpentadec-2-enamide
CID 173002797
2-nonylidenedodecanediamide
CID 154630805
carbonic acid;pentylbenzene
CID 157127683
hexylbenzene;hydrogen peroxide
CID 90001206
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
formamide;hexadecylbenzene;propane
CID 162756092
2-hexylnon-2-enamide;prop-2-enoic acid
CID 174868257
2-benzylideneicosanamide
CID 167436455
5-phenylpentyl octanoate
CID 102283660
decyl 5-phenylpentanoate
CID 91723581
butylbenzene;carbonic acid
CID 158278492
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-pentylidene-8-phenyloctanamide?
The IUPAC name of (2Z)-2-pentylidene-8-phenyloctanamide (CID 118453451) is (2Z)-2-pentylidene-8-phenyloctanamide.
What is the SMILES notation for (2Z)-2-pentylidene-8-phenyloctanamide?
The canonical SMILES for (2Z)-2-pentylidene-8-phenyloctanamide is CCCC/C=C(/CCCCCCc1ccccc1)C(N)=O.
What is the InChIKey of (2Z)-2-pentylidene-8-phenyloctanamide?
The InChIKey is TVPQYJNUSFOLPE-SDXDJHTJSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-3-7-15-18(19(20)21)16-11-5-4-8-12-17-13-9-6-10-14-17/h6,9-10,13-15H,2-5,7-8,11-12,16H2,1H3,(H2,20,21)/b18-15-.
What are the key properties of (2Z)-2-pentylidene-8-phenyloctanamide?
(2Z)-2-pentylidene-8-phenyloctanamide has a molecular weight of 287.45 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-pentylidene-8-phenyloctanamide is sourced from PubChem (CID 118453451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).