2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide

C17H23N3O4 — CID 3254765

IUPAC2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide
SMILESCOCC(=O)N(CC(=O)NCC(=O)Nc1cccc(C)c1)C1CC1
InChIInChI=1S/C17H23N3O4/c1-12-4-3-5-13(8-12)19-15(21)9-18-16(22)10-20(14-6-7-14)17(23)11-24-2/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyGXWIHLBLYHHKOX-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.69
Rot. Bonds8

About 2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide

2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide (PubChem CID 3254765) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide
PubChem CID3254765
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide
SMILESCOCC(=O)N(CC(=O)NCC(=O)Nc1cccc(C)c1)C1CC1
InChIInChI=1S/C17H23N3O4/c1-12-4-3-5-13(8-12)19-15(21)9-18-16(22)10-20(14-6-7-14)17(23)11-24-2/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyGXWIHLBLYHHKOX-UHFFFAOYSA-N
XLogP0.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4183323
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 4276041
4-chloro-N-cyclopropyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 4303769
3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 7144701
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3895120
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3895128
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide
CID 79113681
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 5059734
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide (CID 3254765) is 2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide is COCC(=O)N(CC(=O)NCC(=O)Nc1cccc(C)c1)C1CC1.
What is the InChIKey of 2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide?
The InChIKey is GXWIHLBLYHHKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-4-3-5-13(8-12)19-15(21)9-18-16(22)10-20(14-6-7-14)17(23)11-24-2/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide?
2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3254765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).