3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide

C27H29NO4 — CID 143314341

IUPAC3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide
SMILESCCCCC(C)C(=O)c1ccc(-c2ccc(NC(=O)c3cc(O)cc(OC)c3)cc2)cc1
InChIInChI=1S/C27H29NO4/c1-4-5-6-18(2)26(30)21-9-7-19(8-10-21)20-11-13-23(14-12-20)28-27(31)22-15-24(29)17-25(16-22)32-3/h7-18,29H,4-6H2,1-3H3,(H,28,31)
InChIKeyJTWSINIWDIVORJ-UHFFFAOYSA-N
MW431.53 g/mol
LogP6.33
Rot. Bonds9

About 3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide

3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide (PubChem CID 143314341) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is 3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide
PubChem CID143314341
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide
SMILESCCCCC(C)C(=O)c1ccc(-c2ccc(NC(=O)c3cc(O)cc(OC)c3)cc2)cc1
InChIInChI=1S/C27H29NO4/c1-4-5-6-18(2)26(30)21-9-7-19(8-10-21)20-11-13-23(14-12-20)28-27(31)22-15-24(29)17-25(16-22)32-3/h7-18,29H,4-6H2,1-3H3,(H,28,31)
InChIKeyJTWSINIWDIVORJ-UHFFFAOYSA-N
XLogP6.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
N-[4-(butylamino)phenyl]-4-methoxybenzamide
CID 112980225
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846
1-[4-[4-(butoxyamino)phenyl]phenyl]-7,7-dihydroxy-2-methylheptan-1-one
CID 143314096
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517
N-(3-methoxyphenyl)-4-(pentanoylamino)benzamide
CID 3622603
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide?
The IUPAC name of 3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide (CID 143314341) is 3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide.
What is the SMILES notation for 3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide?
The canonical SMILES for 3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide is CCCCC(C)C(=O)c1ccc(-c2ccc(NC(=O)c3cc(O)cc(OC)c3)cc2)cc1.
What is the InChIKey of 3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide?
The InChIKey is JTWSINIWDIVORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-4-5-6-18(2)26(30)21-9-7-19(8-10-21)20-11-13-23(14-12-20)28-27(31)22-15-24(29)17-25(16-22)32-3/h7-18,29H,4-6H2,1-3H3,(H,28,31).
What are the key properties of 3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide?
3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide has a molecular weight of 431.53 g/mol, XLogP of 6.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methoxy-N-[4-[4-(2-methylhexanoyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 143314341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).