N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide

C23H30N4O5 — CID 121063367

IUPACN-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCOc1ccc(NC(=O)NCCNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C23H30N4O5/c1-23(2,3)21(29)26-16-8-6-15(7-9-16)20(28)24-12-13-25-22(30)27-18-11-10-17(31-4)14-19(18)32-5/h6-11,14H,12-13H2,1-5H3,(H,24,28)(H,26,29)(H2,25,27,30)
InChIKeyZDBWQAVOSAXDIU-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.24
Rot. Bonds8

About N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide

N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 121063367) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
PubChem CID121063367
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC NameN-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCOc1ccc(NC(=O)NCCNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C23H30N4O5/c1-23(2,3)21(29)26-16-8-6-15(7-9-16)20(28)24-12-13-25-22(30)27-18-11-10-17(31-4)14-19(18)32-5/h6-11,14H,12-13H2,1-5H3,(H,24,28)(H,26,29)(H2,25,27,30)
InChIKeyZDBWQAVOSAXDIU-UHFFFAOYSA-N
XLogP3.24
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
4-methoxy-N-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]benzamide
CID 51118545
4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 87384431
4-(2,2-dimethylpropanoylamino)-N-[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide
CID 121063372
4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
CID 17218245
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814
N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 56557423
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 32736215
4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide (CID 121063367) is N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide is COc1ccc(NC(=O)NCCNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(OC)c1.
What is the InChIKey of N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is ZDBWQAVOSAXDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-23(2,3)21(29)26-16-8-6-15(7-9-16)20(28)24-12-13-25-22(30)27-18-11-10-17(31-4)14-19(18)32-5/h6-11,14H,12-13H2,1-5H3,(H,24,28)(H,26,29)(H2,25,27,30).
What are the key properties of N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide?
N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 442.52 g/mol, XLogP of 3.24, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 121063367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).