N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide

C21H25N3O3 — CID 86911483

IUPACN-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide
SMILESCOc1ccccc1CN(C)C(=O)CNc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C21H25N3O3/c1-24(14-15-7-3-6-10-19(15)27-2)20(25)13-22-18-9-5-4-8-17(18)21(26)23-16-11-12-16/h3-10,16,22H,11-14H2,1-2H3,(H,23,26)
InChIKeyPDTRDRYHSGSVAX-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.66
Rot. Bonds8

About N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide

N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide (PubChem CID 86911483) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide
PubChem CID86911483
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide
SMILESCOc1ccccc1CN(C)C(=O)CNc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C21H25N3O3/c1-24(14-15-7-3-6-10-19(15)27-2)20(25)13-22-18-9-5-4-8-17(18)21(26)23-16-11-12-16/h3-10,16,22H,11-14H2,1-2H3,(H,23,26)
InChIKeyPDTRDRYHSGSVAX-UHFFFAOYSA-N
XLogP2.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 86910650
2-(5-chloro-2-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86910523
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclohexyl-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 17320235
2-(ethylamino)-N-(4-methylcyclohexyl)benzamide
CID 62171591
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
4-(cyclopropylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55665974
2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 64610785
N-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 32906957

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide (CID 86911483) is N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide is COc1ccccc1CN(C)C(=O)CNc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide?
The InChIKey is PDTRDRYHSGSVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-24(14-15-7-3-6-10-19(15)27-2)20(25)13-22-18-9-5-4-8-17(18)21(26)23-16-11-12-16/h3-10,16,22H,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide?
N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 86911483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).