4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide

C33H41N5O3 — CID 70218330

IUPAC4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)N(C)C4CCCN4C)cc3C)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C33H41N5O3/c1-23-21-26(33(40)37(4)31-7-6-16-36(31)3)12-14-28(23)24-8-10-25(11-9-24)32(39)34-27-13-15-30(41-5)29(22-27)38-19-17-35(2)18-20-38/h8-15,21-22,31H,6-7,16-20H2,1-5H3,(H,34,39)
InChIKeyNFAQBHRCDIUXSN-UHFFFAOYSA-N
MW555.72 g/mol
LogP4.80
Rot. Bonds7

About 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide

4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide (PubChem CID 70218330) has the molecular formula C33H41N5O3 and a molecular weight of 555.72 g/mol. Its IUPAC name is 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide.

Molecular Properties

Compound Name4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide
PubChem CID70218330
Molecular FormulaC33H41N5O3
Molecular Weight555.72 g/mol
Exact Mass555.32
IUPAC Name4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)N(C)C4CCCN4C)cc3C)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C33H41N5O3/c1-23-21-26(33(40)37(4)31-7-6-16-36(31)3)12-14-28(23)24-8-10-25(11-9-24)32(39)34-27-13-15-30(41-5)29(22-27)38-19-17-35(2)18-20-38/h8-15,21-22,31H,6-7,16-20H2,1-5H3,(H,34,39)
InChIKeyNFAQBHRCDIUXSN-UHFFFAOYSA-N
XLogP4.80
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.72
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide 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-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18960586
but-2-enedioic acid;4-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 159842364
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2-dihydrotriazol-3-yl)phenyl]benzamide
CID 67878356
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;dihydrochloride
CID 24848519
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[[(3-methoxy-2-oxopropyl)amino]methyl]-2-methylphenyl]benzamide
CID 18960599
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide;oxalic acid
CID 22459304
4-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 19007040
N-[3-(dimethylamino)propyl]-4-[4-[[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 70218996
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107
4-[2-amino-3-[amino(hydroxy)methyl]-5-phenylphenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 143419282
N-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-(4-methylsulfinylphenyl)benzamide
CID 18960615

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide?
The IUPAC name of 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide (CID 70218330) is 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide.
What is the SMILES notation for 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide?
The canonical SMILES for 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)N(C)C4CCCN4C)cc3C)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide?
The InChIKey is NFAQBHRCDIUXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O3/c1-23-21-26(33(40)37(4)31-7-6-16-36(31)3)12-14-28(23)24-8-10-25(11-9-24)32(39)34-27-13-15-30(41-5)29(22-27)38-19-17-35(2)18-20-38/h8-15,21-22,31H,6-7,16-20H2,1-5H3,(H,34,39).
What are the key properties of 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide?
4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide has a molecular weight of 555.72 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide is sourced from PubChem (CID 70218330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).