N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide

C32H34N4O4 — CID 171423306

IUPACN-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(N(C)C)c(OC)c4)cc3)cc2)ccc1N(C)C
InChIInChI=1S/C32H34N4O4/c1-35(2)27-17-15-25(19-29(27)39-5)33-31(37)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32(38)34-26-16-18-28(36(3)4)30(20-26)40-6/h7-20H,1-6H3,(H,33,37)(H,34,38)
InChIKeyWUOWJMOUEFLVQZ-UHFFFAOYSA-N
MW538.65 g/mol
LogP6.01
Rot. Bonds9

About N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide

N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide (PubChem CID 171423306) has the molecular formula C32H34N4O4 and a molecular weight of 538.65 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide
PubChem CID171423306
Molecular FormulaC32H34N4O4
Molecular Weight538.65 g/mol
Exact Mass538.26
IUPAC NameN-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(N(C)C)c(OC)c4)cc3)cc2)ccc1N(C)C
InChIInChI=1S/C32H34N4O4/c1-35(2)27-17-15-25(19-29(27)39-5)33-31(37)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32(38)34-26-16-18-28(36(3)4)30(20-26)40-6/h7-20H,1-6H3,(H,33,37)(H,34,38)
InChIKeyWUOWJMOUEFLVQZ-UHFFFAOYSA-N
XLogP6.01
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
CID 6452760
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
2-(dimethylamino)-N-(2-methoxyethyl)-5-[(4-methylbenzoyl)amino]benzamide
CID 4036231
2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
CID 7125440
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide (CID 171423306) is N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide is COc1cc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(N(C)C)c(OC)c4)cc3)cc2)ccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide?
The InChIKey is WUOWJMOUEFLVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O4/c1-35(2)27-17-15-25(19-29(27)39-5)33-31(37)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32(38)34-26-16-18-28(36(3)4)30(20-26)40-6/h7-20H,1-6H3,(H,33,37)(H,34,38).
What are the key properties of N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide?
N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide has a molecular weight of 538.65 g/mol, XLogP of 6.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 171423306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).