N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide

C20H25N3O4 — CID 110609641

IUPACN-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)NCC(C)C)cc1OC
InChIInChI=1S/C20H25N3O4/c1-13(2)12-21-20(25)23-16-8-6-5-7-15(16)19(24)22-14-9-10-17(26-3)18(11-14)27-4/h5-11,13H,12H2,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyNERWNARMXMPMMI-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.73
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide

N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide (PubChem CID 110609641) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide
PubChem CID110609641
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)NCC(C)C)cc1OC
InChIInChI=1S/C20H25N3O4/c1-13(2)12-21-20(25)23-16-8-6-5-7-15(16)19(24)22-14-9-10-17(26-3)18(11-14)27-4/h5-11,13H,12H2,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyNERWNARMXMPMMI-UHFFFAOYSA-N
XLogP3.73
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 168640663
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
2-[(3-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 100745717
1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
CID 51944503
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
6-N-(3,4-dimethoxyphenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094513
2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34729772
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea
CID 110613344
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide (CID 110609641) is N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide is COc1ccc(NC(=O)c2ccccc2NC(=O)NCC(C)C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide?
The InChIKey is NERWNARMXMPMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(2)12-21-20(25)23-16-8-6-5-7-15(16)19(24)22-14-9-10-17(26-3)18(11-14)27-4/h5-11,13H,12H2,1-4H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide?
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide is sourced from PubChem (CID 110609641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).