1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide

C28H31N3O5 — CID 20967557

IUPAC1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccccc2C(=O)NC(C)(C)C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H31N3O5/c1-28(2,27(34)30-18-20-11-15-22(36-4)16-12-20)31-26(33)24-8-6-5-7-23(24)25(32)29-17-19-9-13-21(35-3)14-10-19/h5-16H,17-18H2,1-4H3,(H,29,32)(H,30,34)(H,31,33)
InChIKeyUDORZLUBKAJWCB-UHFFFAOYSA-N
MW489.57 g/mol
LogP3.46
Rot. Bonds10

About 1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide

1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide (PubChem CID 20967557) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is 1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide
PubChem CID20967557
Molecular FormulaC28H31N3O5
Molecular Weight489.57 g/mol
Exact Mass489.23
IUPAC Name1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccccc2C(=O)NC(C)(C)C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H31N3O5/c1-28(2,27(34)30-18-20-11-15-22(36-4)16-12-20)31-26(33)24-8-6-5-7-23(24)25(32)29-17-19-9-13-21(35-3)14-10-19/h5-16H,17-18H2,1-4H3,(H,29,32)(H,30,34)(H,31,33)
InChIKeyUDORZLUBKAJWCB-UHFFFAOYSA-N
XLogP3.46
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
N-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)benzamide
CID 1274362
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CID 62833195
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
N-benzyl-2-(4-methoxyphenyl)acetamide
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3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
N-[(4-methoxyphenyl)methyl]-2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 38113686
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide (CID 20967557) is 1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide is COc1ccc(CNC(=O)c2ccccc2C(=O)NC(C)(C)C(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide?
The InChIKey is UDORZLUBKAJWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-28(2,27(34)30-18-20-11-15-22(36-4)16-12-20)31-26(33)24-8-6-5-7-23(24)25(32)29-17-19-9-13-21(35-3)14-10-19/h5-16H,17-18H2,1-4H3,(H,29,32)(H,30,34)(H,31,33).
What are the key properties of 1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide?
1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide has a molecular weight of 489.57 g/mol, XLogP of 3.46, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 20967557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).