3-[(3-aminopropanoylamino)methyl]benzamide

C11H15N3O2 — CID 61274334

IUPAC3-[(3-aminopropanoylamino)methyl]benzamide
SMILESNCCC(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C11H15N3O2/c12-5-4-10(15)14-7-8-2-1-3-9(6-8)11(13)16/h1-3,6H,4-5,7,12H2,(H2,13,16)(H,14,15)
InChIKeyJLUVDMURGGGRRS-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.25
Rot. Bonds5

About 3-[(3-aminopropanoylamino)methyl]benzamide

3-[(3-aminopropanoylamino)methyl]benzamide (PubChem CID 61274334) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[(3-aminopropanoylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(3-aminopropanoylamino)methyl]benzamide
PubChem CID61274334
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-[(3-aminopropanoylamino)methyl]benzamide
SMILESNCCC(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C11H15N3O2/c12-5-4-10(15)14-7-8-2-1-3-9(6-8)11(13)16/h1-3,6H,4-5,7,12H2,(H2,13,16)(H,14,15)
InChIKeyJLUVDMURGGGRRS-UHFFFAOYSA-N
XLogP-0.25
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
3-[(prop-2-enoylamino)methyl]benzamide
CID 61250831
3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
CID 62669665
5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934225
3-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]benzamide
CID 33094692
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 173090462

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopropanoylamino)methyl]benzamide?
The IUPAC name of 3-[(3-aminopropanoylamino)methyl]benzamide (CID 61274334) is 3-[(3-aminopropanoylamino)methyl]benzamide.
What is the SMILES notation for 3-[(3-aminopropanoylamino)methyl]benzamide?
The canonical SMILES for 3-[(3-aminopropanoylamino)methyl]benzamide is NCCC(=O)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(3-aminopropanoylamino)methyl]benzamide?
The InChIKey is JLUVDMURGGGRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-5-4-10(15)14-7-8-2-1-3-9(6-8)11(13)16/h1-3,6H,4-5,7,12H2,(H2,13,16)(H,14,15).
What are the key properties of 3-[(3-aminopropanoylamino)methyl]benzamide?
3-[(3-aminopropanoylamino)methyl]benzamide has a molecular weight of 221.26 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopropanoylamino)methyl]benzamide is sourced from PubChem (CID 61274334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).