N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide

C21H29NO — CID 142043593

IUPACN-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide
SMILESC=C/C=C\C(=C)CCCC(CCCc1ccccc1)NC(C)=O
InChIInChI=1S/C21H29NO/c1-4-5-11-18(2)12-9-16-21(22-19(3)23)17-10-15-20-13-7-6-8-14-20/h4-8,11,13-14,21H,1-2,9-10,12,15-17H2,3H3,(H,22,23)/b11-5-
InChIKeyYULTZXMFBXMFHV-WZUFQYTHSA-N
MW311.47 g/mol
LogP4.98
Rot. Bonds11

About N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide

N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide (PubChem CID 142043593) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide.

Molecular Properties

Compound NameN-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide
PubChem CID142043593
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC NameN-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide
SMILESC=C/C=C\C(=C)CCCC(CCCc1ccccc1)NC(C)=O
InChIInChI=1S/C21H29NO/c1-4-5-11-18(2)12-9-16-21(22-19(3)23)17-10-15-20-13-7-6-8-14-20/h4-8,11,13-14,21H,1-2,9-10,12,15-17H2,3H3,(H,22,23)/b11-5-
InChIKeyYULTZXMFBXMFHV-WZUFQYTHSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine
CID 142137977
azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 162357982
(Z,7Z)-7-ethylidene-N-hydroxy-4-methylidene-10-phenyldec-5-enamide
CID 88936729
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(2S)-2-acetamido-7-phenylheptanoic acid
CID 129362724
N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide
CID 159962535
(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
CID 167881272
3-methyl-6-phenylhexan-2-one
CID 59396975
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024
2-methyl-7-phenylhept-2-en-4-ol
CID 71663928

Frequently Asked Questions

What is the IUPAC name of N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide?
The IUPAC name of N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide (CID 142043593) is N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide.
What is the SMILES notation for N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide?
The canonical SMILES for N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide is C=C/C=C\C(=C)CCCC(CCCc1ccccc1)NC(C)=O.
What is the InChIKey of N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide?
The InChIKey is YULTZXMFBXMFHV-WZUFQYTHSA-N. The full InChI is InChI=1S/C21H29NO/c1-4-5-11-18(2)12-9-16-21(22-19(3)23)17-10-15-20-13-7-6-8-14-20/h4-8,11,13-14,21H,1-2,9-10,12,15-17H2,3H3,(H,22,23)/b11-5-.
What are the key properties of N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide?
N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide has a molecular weight of 311.47 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9Z)-8-methylidene-1-phenyldodeca-9,11-dien-4-yl]acetamide is sourced from PubChem (CID 142043593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).