3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide

C20H23N3O2 — CID 46643223

IUPAC3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C20H23N3O2/c1-21-20(25)16-8-5-9-17(12-16)22-19(24)14-23(18-10-11-18)13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyRQXNPNILOFSAHL-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.65
Rot. Bonds7

About 3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide

3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide (PubChem CID 46643223) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
PubChem CID46643223
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C20H23N3O2/c1-21-20(25)16-8-5-9-17(12-16)22-19(24)14-23(18-10-11-18)13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyRQXNPNILOFSAHL-UHFFFAOYSA-N
XLogP2.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide
CID 8906749
3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
CID 46568152
N-(3-acetylphenyl)-2-[benzyl(cyclohexyl)amino]acetamide
CID 52688849
3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide
CID 33097961
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide
CID 75434556
3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60838182
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 32514074
3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide
CID 51642056

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide (CID 46643223) is 3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C2CC2)c1.
What is the InChIKey of 3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide?
The InChIKey is RQXNPNILOFSAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-21-20(25)16-8-5-9-17(12-16)22-19(24)14-23(18-10-11-18)13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide?
3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 46643223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).