4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide

C27H30N4O4 — CID 55958304

IUPAC4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide
SMILESCOc1ccc(C(=O)NCCCC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C27H30N4O4/c1-19-6-3-8-22(16-19)30-27(34)31-23-9-4-7-20(17-23)18-29-25(32)10-5-15-28-26(33)21-11-13-24(35-2)14-12-21/h3-4,6-9,11-14,16-17H,5,10,15,18H2,1-2H3,(H,28,33)(H,29,32)(H2,30,31,34)
InChIKeyIIMVBAVCEKYYKD-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.47
Rot. Bonds10

About 4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide

4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide (PubChem CID 55958304) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide
PubChem CID55958304
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide
SMILESCOc1ccc(C(=O)NCCCC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C27H30N4O4/c1-19-6-3-8-22(16-19)30-27(34)31-23-9-4-7-20(17-23)18-29-25(32)10-5-15-28-26(33)21-11-13-24(35-2)14-12-21/h3-4,6-9,11-14,16-17H,5,10,15,18H2,1-2H3,(H,28,33)(H,29,32)(H2,30,31,34)
InChIKeyIIMVBAVCEKYYKD-UHFFFAOYSA-N
XLogP4.47
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-acetamidophenyl)methylamino]-4-oxobutyl]-4-fluorobenzamide
CID 47070838
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55958052
7-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]heptanamide;hydrochloride
CID 119719678
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide
CID 86875243
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide
CID 55958053
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide (CID 55958304) is 4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide is COc1ccc(C(=O)NCCCC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide?
The InChIKey is IIMVBAVCEKYYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-19-6-3-8-22(16-19)30-27(34)31-23-9-4-7-20(17-23)18-29-25(32)10-5-15-28-26(33)21-11-13-24(35-2)14-12-21/h3-4,6-9,11-14,16-17H,5,10,15,18H2,1-2H3,(H,28,33)(H,29,32)(H2,30,31,34).
What are the key properties of 4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide?
4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide has a molecular weight of 474.56 g/mol, XLogP of 4.47, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 55958304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).