1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide

C23H23N3O3 — CID 109050069

IUPAC1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-26(2)20-13-11-18(12-14-20)24-22(27)16-7-9-17(10-8-16)23(28)25-19-5-4-6-21(15-19)29-3/h4-15H,1-3H3,(H,24,27)(H,25,28)
InChIKeySDCMUZKBISUDGT-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.27
Rot. Bonds6

About 1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide

1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109050069) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109050069
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-26(2)20-13-11-18(12-14-20)24-22(27)16-7-9-17(10-8-16)23(28)25-19-5-4-6-21(15-19)29-3/h4-15H,1-3H3,(H,24,27)(H,25,28)
InChIKeySDCMUZKBISUDGT-UHFFFAOYSA-N
XLogP4.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
1-[4-(dimethylamino)phenyl]-3-(3-methoxyphenyl)thiourea
CID 976494
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide
CID 139505953
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
4-(dimethylamino)-N-(3-hydroxyphenyl)benzamide
CID 28739881
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986095
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049073
4-[(3-methoxyphenyl)carbamoylamino]-N-methylbenzamide
CID 17180805
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide (CID 109050069) is 1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide is COc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)c1.
What is the InChIKey of 1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is SDCMUZKBISUDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26(2)20-13-11-18(12-14-20)24-22(27)16-7-9-17(10-8-16)23(28)25-19-5-4-6-21(15-19)29-3/h4-15H,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109050069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).