N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide

C32H32N2O4 — CID 4537878

IUPACN-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3cc(C)cc(C)c3)c(OC)c2)ccc1NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C32H32N2O4/c1-19-11-20(2)14-25(13-19)31(35)33-27-9-7-23(17-29(27)37-5)24-8-10-28(30(18-24)38-6)34-32(36)26-15-21(3)12-22(4)16-26/h7-18H,1-6H3,(H,33,35)(H,34,36)
InChIKeyMXDDQKYEWCVYMP-UHFFFAOYSA-N
MW508.62 g/mol
LogP7.11
Rot. Bonds7

About N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide

N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide (PubChem CID 4537878) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
PubChem CID4537878
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC NameN-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3cc(C)cc(C)c3)c(OC)c2)ccc1NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C32H32N2O4/c1-19-11-20(2)14-25(13-19)31(35)33-27-9-7-23(17-29(27)37-5)24-8-10-28(30(18-24)38-6)34-32(36)26-15-21(3)12-22(4)16-26/h7-18H,1-6H3,(H,33,35)(H,34,36)
InChIKeyMXDDQKYEWCVYMP-UHFFFAOYSA-N
XLogP7.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide
CID 3343453
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide
CID 104850542
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 43981188
N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide
CID 43980864
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32509130

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide (CID 4537878) is N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide is COc1cc(-c2ccc(NC(=O)c3cc(C)cc(C)c3)c(OC)c2)ccc1NC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide?
The InChIKey is MXDDQKYEWCVYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-19-11-20(2)14-25(13-19)31(35)33-27-9-7-23(17-29(27)37-5)24-8-10-28(30(18-24)38-6)34-32(36)26-15-21(3)12-22(4)16-26/h7-18H,1-6H3,(H,33,35)(H,34,36).
What are the key properties of N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide?
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide has a molecular weight of 508.62 g/mol, XLogP of 7.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 4537878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).