N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline

C23H27NO — CID 154932148

IUPACN-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline
SMILESC=C(/C=C/c1ccc(OC)cc1)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H27NO/c1-19(13-14-20-15-17-23(25-2)18-16-20)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3,5-6,9-10,13-18,22H,1,4,7-8,11-12H2,2H3/b14-13+
InChIKeySBSFODJTHAWWRL-BUHFOSPRSA-N
MW333.48 g/mol
LogP6.06
Rot. Bonds6

About N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline

N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline (PubChem CID 154932148) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline.

Molecular Properties

Compound NameN-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline
PubChem CID154932148
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC NameN-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline
SMILESC=C(/C=C/c1ccc(OC)cc1)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H27NO/c1-19(13-14-20-15-17-23(25-2)18-16-20)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3,5-6,9-10,13-18,22H,1,4,7-8,11-12H2,2H3/b14-13+
InChIKeySBSFODJTHAWWRL-BUHFOSPRSA-N
XLogP6.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine
CID 154932235
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681
N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
[2-(N-cyclohexylanilino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 7787875
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol
CID 89171740
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
CID 67564177
S-phenyl (E)-3-(4-methoxyphenyl)prop-2-enethioate
CID 102357044
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline?
The IUPAC name of N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline (CID 154932148) is N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline.
What is the SMILES notation for N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline?
The canonical SMILES for N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline is C=C(/C=C/c1ccc(OC)cc1)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline?
The InChIKey is SBSFODJTHAWWRL-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H27NO/c1-19(13-14-20-15-17-23(25-2)18-16-20)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3,5-6,9-10,13-18,22H,1,4,7-8,11-12H2,2H3/b14-13+.
What are the key properties of N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline?
N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline has a molecular weight of 333.48 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(3E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]aniline is sourced from PubChem (CID 154932148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).