(2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine

C28H27N — CID 142362996

IUPAC(2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine
SMILESC=C1/C=C\C=C/N(c2ccc(C)c(-c3ccccc3CCC)c2)c2ccccc21
InChIInChI=1S/C28H27N/c1-4-11-23-13-5-6-15-26(23)27-20-24(18-17-22(27)3)29-19-10-9-12-21(2)25-14-7-8-16-28(25)29/h5-10,12-20H,2,4,11H2,1,3H3/b12-9-,19-10-
InChIKeySKPQQZWZVCZNQI-MNVQJFTMSA-N
MW377.53 g/mol
LogP7.85
Rot. Bonds4

About (2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine

(2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine (PubChem CID 142362996) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is (2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine.

Molecular Properties

Compound Name(2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine
PubChem CID142362996
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name(2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine
SMILESC=C1/C=C\C=C/N(c2ccc(C)c(-c3ccccc3CCC)c2)c2ccccc21
InChIInChI=1S/C28H27N/c1-4-11-23-13-5-6-15-26(23)27-20-24(18-17-22(27)3)29-19-10-9-12-21(2)25-14-7-8-16-28(25)29/h5-10,12-20H,2,4,11H2,1,3H3/b12-9-,19-10-
InChIKeySKPQQZWZVCZNQI-MNVQJFTMSA-N
XLogP7.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene
CID 143906076
(2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine
CID 145396751
2,4-dimethyl-1-(2-propylphenyl)benzene
CID 123254969
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621
(2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine
CID 143437975
1-methyl-2,3-bis(2-propylphenyl)benzene
CID 123997531
ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 143848474
1-(2-propylphenyl)diazepine
CID 155692954
(2Z,4Z)-N-[2-(2-iminoethyl)phenyl]sulfanyl-6-methylidene-1-benzazocin-1-amine
CID 145198830
(2Z,4Z)-1-cyclohexa-1,3-dien-1-yl-6-methylidene-7-[3-methyl-4-(2-methylphenyl)phenyl]-1-benzazocine
CID 144830878
2-(2-methylphenyl)-1,3,5-tripropylbenzene
CID 90909135
1-bromo-2-methyl-3-(2-propylphenyl)benzene
CID 156726289

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine?
The IUPAC name of (2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine (CID 142362996) is (2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine.
What is the SMILES notation for (2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine?
The canonical SMILES for (2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine is C=C1/C=C\C=C/N(c2ccc(C)c(-c3ccccc3CCC)c2)c2ccccc21.
What is the InChIKey of (2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine?
The InChIKey is SKPQQZWZVCZNQI-MNVQJFTMSA-N. The full InChI is InChI=1S/C28H27N/c1-4-11-23-13-5-6-15-26(23)27-20-24(18-17-22(27)3)29-19-10-9-12-21(2)25-14-7-8-16-28(25)29/h5-10,12-20H,2,4,11H2,1,3H3/b12-9-,19-10-.
What are the key properties of (2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine?
(2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine has a molecular weight of 377.53 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine is sourced from PubChem (CID 142362996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).