3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol

C22H33NO — CID 174162730

IUPAC3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol
SMILESC/C=C(/CCN(CC=C(C)C)CC=C(C)C)c1cc(O)ccc1C
InChIInChI=1S/C22H33NO/c1-7-20(22-16-21(24)9-8-19(22)6)12-15-23(13-10-17(2)3)14-11-18(4)5/h7-11,16,24H,12-15H2,1-6H3/b20-7-
InChIKeyWKEWHFHUKDPIMW-SCDVKCJHSA-N
MW327.51 g/mol
LogP5.73
Rot. Bonds8

About 3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol

3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol (PubChem CID 174162730) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol.

Molecular Properties

Compound Name3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol
PubChem CID174162730
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol
SMILESC/C=C(/CCN(CC=C(C)C)CC=C(C)C)c1cc(O)ccc1C
InChIInChI=1S/C22H33NO/c1-7-20(22-16-21(24)9-8-19(22)6)12-15-23(13-10-17(2)3)14-11-18(4)5/h7-11,16,24H,12-15H2,1-6H3/b20-7-
InChIKeyWKEWHFHUKDPIMW-SCDVKCJHSA-N
XLogP5.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-[(Z)-pent-2-en-3-yl]phenol
CID 142882435
4-methyl-3-(5-methylhex-4-enyl)phenol
CID 53361663
(Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine
CID 168928022
3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol
CID 135043440
3,4-dimethylphenol;hydrofluoride
CID 163210270
1-(2,5-dihydroxyphenyl)-3-methylbut-2-en-1-one
CID 86168329
3-[(Z)-but-2-en-2-yl]-4-ethenylphenol
CID 89213419
3-tert-butyl-4-methylphenol
CID 13130216
4-methyl-3-prop-1-enylphenol
CID 59722537
(Z)-3-(2-methyl-5-prop-2-ynoxyphenyl)-N,N-bis(prop-2-ynyl)hept-3-en-1-amine
CID 174162731
3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one
CID 121004187
5-hydroxy-2-methyl-N-prop-2-ynylbenzamide
CID 130595323

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol?
The IUPAC name of 3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol (CID 174162730) is 3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol.
What is the SMILES notation for 3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol?
The canonical SMILES for 3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol is C/C=C(/CCN(CC=C(C)C)CC=C(C)C)c1cc(O)ccc1C.
What is the InChIKey of 3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol?
The InChIKey is WKEWHFHUKDPIMW-SCDVKCJHSA-N. The full InChI is InChI=1S/C22H33NO/c1-7-20(22-16-21(24)9-8-19(22)6)12-15-23(13-10-17(2)3)14-11-18(4)5/h7-11,16,24H,12-15H2,1-6H3/b20-7-.
What are the key properties of 3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol?
3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol has a molecular weight of 327.51 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol is sourced from PubChem (CID 174162730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).