3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide

C12H17N3O2 — CID 62669665

IUPAC3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
SMILESCC(CN)C(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8(6-13)12(17)15-7-9-3-2-4-10(5-9)11(14)16/h2-5,8H,6-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyCBRPXEJGDXZZJK-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.00
Rot. Bonds5

About 3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide

3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide (PubChem CID 62669665) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
PubChem CID62669665
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
SMILESCC(CN)C(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8(6-13)12(17)15-7-9-3-2-4-10(5-9)11(14)16/h2-5,8H,6-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyCBRPXEJGDXZZJK-UHFFFAOYSA-N
XLogP-0.00
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65229324
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3-[(2-bromobutanoylamino)methyl]benzamide
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3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
CID 103743332
3-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]benzamide
CID 55586482
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
CID 119287433

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide (CID 62669665) is 3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide is CC(CN)C(=O)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide?
The InChIKey is CBRPXEJGDXZZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(6-13)12(17)15-7-9-3-2-4-10(5-9)11(14)16/h2-5,8H,6-7,13H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide?
3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide has a molecular weight of 235.29 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide is sourced from PubChem (CID 62669665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).