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

C20H25N3O2 — CID 33097961

IUPAC3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-15(2)23(13-16-8-5-4-6-9-16)14-19(24)22-18-11-7-10-17(12-18)20(25)21-3/h4-12,15H,13-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyHDDDEDQMEAYMIF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.90
Rot. Bonds7

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

3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide (PubChem CID 33097961) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide
PubChem CID33097961
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-15(2)23(13-16-8-5-4-6-9-16)14-19(24)22-18-11-7-10-17(12-18)20(25)21-3/h4-12,15H,13-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyHDDDEDQMEAYMIF-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 33097599
2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 24582092
3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
CID 46643223
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133031
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
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
CID 60512943

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide (CID 33097961) is 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide?
The InChIKey is HDDDEDQMEAYMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)23(13-16-8-5-4-6-9-16)14-19(24)22-18-11-7-10-17(12-18)20(25)21-3/h4-12,15H,13-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide?
3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 33097961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).