N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide

C18H21N3O4 — CID 39184908

IUPACN-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide
SMILESCOc1cc(NC(=O)CN)c(NC(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-11-5-4-6-12(7-11)18(23)21-14-9-16(25-3)15(24-2)8-13(14)20-17(22)10-19/h4-9H,10,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUNHFMSAURFFFCN-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.16
Rot. Bonds6

About N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide

N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide (PubChem CID 39184908) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide
PubChem CID39184908
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide
SMILESCOc1cc(NC(=O)CN)c(NC(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-11-5-4-6-12(7-11)18(23)21-14-9-16(25-3)15(24-2)8-13(14)20-17(22)10-19/h4-9H,10,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUNHFMSAURFFFCN-UHFFFAOYSA-N
XLogP2.16
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide
CID 39186055
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide
CID 39193798
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
CID 39184898
2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide
CID 39184918
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
3-methyl-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 2204297
N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 2604010
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
N-[3-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906799
N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-methylbenzamide
CID 17252265

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide (CID 39184908) is N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide is COc1cc(NC(=O)CN)c(NC(=O)c2cccc(C)c2)cc1OC.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide?
The InChIKey is UNHFMSAURFFFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-5-4-6-12(7-11)18(23)21-14-9-16(25-3)15(24-2)8-13(14)20-17(22)10-19/h4-9H,10,19H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide?
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide is sourced from PubChem (CID 39184908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).