1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide

C29H34N2O3 — CID 71761515

IUPAC1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C29H34N2O3/c1-28(2,3)20-9-13-22(14-10-20)30-26(32)19-8-17-25(34-7)24(18-19)27(33)31-23-15-11-21(12-16-23)29(4,5)6/h8-18H,1-7H3,(H,30,32)(H,31,33)
InChIKeyNIUGCPRXJUUCOK-UHFFFAOYSA-N
MW458.60 g/mol
LogP6.79
Rot. Bonds5

About 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide

1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 71761515) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
PubChem CID71761515
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C29H34N2O3/c1-28(2,3)20-9-13-22(14-10-20)30-26(32)19-8-17-25(34-7)24(18-19)27(33)31-23-15-11-21(12-16-23)29(4,5)6/h8-18H,1-7H3,(H,30,32)(H,31,33)
InChIKeyNIUGCPRXJUUCOK-UHFFFAOYSA-N
XLogP6.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 141401916
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
4-tert-butyl-N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4980574
3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 59265083
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924
N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
CID 8639762
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide (CID 71761515) is 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is NIUGCPRXJUUCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-28(2,3)20-9-13-22(14-10-20)30-26(32)19-8-17-25(34-7)24(18-19)27(33)31-23-15-11-21(12-16-23)29(4,5)6/h8-18H,1-7H3,(H,30,32)(H,31,33).
What are the key properties of 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 458.60 g/mol, XLogP of 6.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 71761515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).