3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide

C20H23N3O4 — CID 131913633

IUPAC3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(NC(=O)c2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C20H23N3O4/c1-3-9-22-19(25)15-8-7-13(2)17(11-15)23-20(26)14-5-4-6-16(10-14)27-12-18(21)24/h4-8,10-11H,3,9,12H2,1-2H3,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyIVFGAAGTLSBGTC-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.25
Rot. Bonds8

About 3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide

3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide (PubChem CID 131913633) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound Name3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide
PubChem CID131913633
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(NC(=O)c2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C20H23N3O4/c1-3-9-22-19(25)15-8-7-13(2)17(11-15)23-20(26)14-5-4-6-16(10-14)27-12-18(21)24/h4-8,10-11H,3,9,12H2,1-2H3,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyIVFGAAGTLSBGTC-UHFFFAOYSA-N
XLogP2.25
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
3-(carbamothioylamino)-4-methyl-N-propylbenzamide
CID 169356590
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55892925
N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17133060
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
CID 22291006
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
3-(2-amino-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 35743593
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
3-(2-amino-2-oxoethoxy)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 35680500

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide?
The IUPAC name of 3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide (CID 131913633) is 3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide.
What is the SMILES notation for 3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide?
The canonical SMILES for 3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide is CCCNC(=O)c1ccc(C)c(NC(=O)c2cccc(OCC(N)=O)c2)c1.
What is the InChIKey of 3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide?
The InChIKey is IVFGAAGTLSBGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-9-22-19(25)15-8-7-13(2)17(11-15)23-20(26)14-5-4-6-16(10-14)27-12-18(21)24/h4-8,10-11H,3,9,12H2,1-2H3,(H2,21,24)(H,22,25)(H,23,26).
What are the key properties of 3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide?
3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 131913633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).