3-[(propanoylamino)methyl]benzamide

C11H14N2O2 — CID 32636451

IUPAC3-[(propanoylamino)methyl]benzamide
SMILESCCC(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C11H14N2O2/c1-2-10(14)13-7-8-4-3-5-9(6-8)11(12)15/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyFMZMEKISUPGUJJ-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.81
Rot. Bonds4

About 3-[(propanoylamino)methyl]benzamide

3-[(propanoylamino)methyl]benzamide (PubChem CID 32636451) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[(propanoylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(propanoylamino)methyl]benzamide
PubChem CID32636451
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-[(propanoylamino)methyl]benzamide
SMILESCCC(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C11H14N2O2/c1-2-10(14)13-7-8-4-3-5-9(6-8)11(12)15/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyFMZMEKISUPGUJJ-UHFFFAOYSA-N
XLogP0.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(propanoylamino)methyl]benzoic acid
CID 20745849
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43566996
5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934225
3-[(2-bromobutanoylamino)methyl]benzamide
CID 62855612
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
CID 25061500
3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
CID 119287433
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11484092

Frequently Asked Questions

What is the IUPAC name of 3-[(propanoylamino)methyl]benzamide?
The IUPAC name of 3-[(propanoylamino)methyl]benzamide (CID 32636451) is 3-[(propanoylamino)methyl]benzamide.
What is the SMILES notation for 3-[(propanoylamino)methyl]benzamide?
The canonical SMILES for 3-[(propanoylamino)methyl]benzamide is CCC(=O)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(propanoylamino)methyl]benzamide?
The InChIKey is FMZMEKISUPGUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-10(14)13-7-8-4-3-5-9(6-8)11(12)15/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-[(propanoylamino)methyl]benzamide?
3-[(propanoylamino)methyl]benzamide has a molecular weight of 206.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propanoylamino)methyl]benzamide is sourced from PubChem (CID 32636451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).