N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide

C28H32N4O4 — CID 12972261

IUPACN-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(OC)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1
InChIInChI=1S/C28H32N4O4/c1-31-16-5-17-32(19-18-31)22-12-8-20(9-13-22)28(34)30-26-24(6-4-7-25(26)36-3)29-27(33)21-10-14-23(35-2)15-11-21/h4,6-15H,5,16-19H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyKYQRTKYBRBAQFR-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.35
Rot. Bonds7

About N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide

N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide (PubChem CID 12972261) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
PubChem CID12972261
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(OC)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1
InChIInChI=1S/C28H32N4O4/c1-31-16-5-17-32(19-18-31)22-12-8-20(9-13-22)28(34)30-26-24(6-4-7-25(26)36-3)29-27(33)21-10-14-23(35-2)15-11-21/h4,6-15H,5,16-19H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyKYQRTKYBRBAQFR-UHFFFAOYSA-N
XLogP4.35
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-hydroxy-2-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 59017240
[4-[(4-methoxybenzoyl)amino]-3-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]phenyl] 4-methoxybenzoate
CID 56850259
3-hydroxy-N-(4-methoxyphenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide;hydrochloride
CID 69442778
N-[2-hydroxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]benzamide;hydrochloride
CID 162338663
N-[3-hydroxy-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]phenyl]-5-methoxythiophene-2-carboxamide
CID 56850673
N-[3-hydroxy-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]phenyl]-5-methoxythiophene-2-carboxamide;hydrochloride
CID 160683485
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
N-[3-hydroxy-1-[(4-methoxybenzoyl)amino]-1H-phenalen-2-yl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 69442574
N-[4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 55917529
N-[2-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-3-carboxamide
CID 55982546
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 118723665

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide?
The IUPAC name of N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide (CID 12972261) is N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide.
What is the SMILES notation for N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide?
The canonical SMILES for N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide is COc1ccc(C(=O)Nc2cccc(OC)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1.
What is the InChIKey of N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide?
The InChIKey is KYQRTKYBRBAQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-31-16-5-17-32(19-18-31)22-12-8-20(9-13-22)28(34)30-26-24(6-4-7-25(26)36-3)29-27(33)21-10-14-23(35-2)15-11-21/h4,6-15H,5,16-19H2,1-3H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide?
N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide has a molecular weight of 488.59 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide is sourced from PubChem (CID 12972261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).