3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide

C45H37N3O6 — CID 163848625

IUPAC3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide
SMILESO=C(NC1=CCC(Oc2ccccc2)CC1)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C45H37N3O6/c49-43(31-16-22-40(23-17-31)52-37-10-4-1-5-11-37)47-35-28-33(45(51)46-34-20-26-42(27-21-34)54-39-14-8-3-9-15-39)29-36(30-35)48-44(50)32-18-24-41(25-19-32)53-38-12-6-2-7-13-38/h1-20,22-25,28-30,42H,21,26-27H2,(H,46,51)(H,47,49)(H,48,50)
InChIKeyOSJQRFLQMFEOQL-UHFFFAOYSA-N
MW715.81 g/mol
LogP10.02
Rot. Bonds12

About 3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide

3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide (PubChem CID 163848625) has the molecular formula C45H37N3O6 and a molecular weight of 715.81 g/mol. Its IUPAC name is 3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide.

Molecular Properties

Compound Name3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide
PubChem CID163848625
Molecular FormulaC45H37N3O6
Molecular Weight715.81 g/mol
Exact Mass715.27
IUPAC Name3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide
SMILESO=C(NC1=CCC(Oc2ccccc2)CC1)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C45H37N3O6/c49-43(31-16-22-40(23-17-31)52-37-10-4-1-5-11-37)47-35-28-33(45(51)46-34-20-26-42(27-21-34)54-39-14-8-3-9-15-39)29-36(30-35)48-44(50)32-18-24-41(25-19-32)53-38-12-6-2-7-13-38/h1-20,22-25,28-30,42H,21,26-27H2,(H,46,51)(H,47,49)(H,48,50)
InChIKeyOSJQRFLQMFEOQL-UHFFFAOYSA-N
XLogP10.02
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.81
LogP ≤ 510.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[3,5-bis[(4-phenoxycarbonyloxybenzoyl)amino]benzoyl]amino]phenyl] phenyl carbonate
CID 118047331
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide?
The IUPAC name of 3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide (CID 163848625) is 3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide.
What is the SMILES notation for 3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide?
The canonical SMILES for 3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide is O=C(NC1=CCC(Oc2ccccc2)CC1)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide?
The InChIKey is OSJQRFLQMFEOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N3O6/c49-43(31-16-22-40(23-17-31)52-37-10-4-1-5-11-37)47-35-28-33(45(51)46-34-20-26-42(27-21-34)54-39-14-8-3-9-15-39)29-36(30-35)48-44(50)32-18-24-41(25-19-32)53-38-12-6-2-7-13-38/h1-20,22-25,28-30,42H,21,26-27H2,(H,46,51)(H,47,49)(H,48,50).
What are the key properties of 3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide?
3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide has a molecular weight of 715.81 g/mol, XLogP of 10.02, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(4-phenoxybenzoyl)amino]-N-(4-phenoxycyclohexen-1-yl)benzamide is sourced from PubChem (CID 163848625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).