4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide

C14H19N3O2 — CID 54870661

IUPAC4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)CNC1CC1
InChIInChI=1S/C14H19N3O2/c1-17(13(18)8-16-12-6-7-12)9-10-2-4-11(5-3-10)14(15)19/h2-5,12,16H,6-9H2,1H3,(H2,15,19)
InChIKeyZSBIRPGAYUHTOG-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.50
Rot. Bonds6

About 4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide

4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide (PubChem CID 54870661) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide
PubChem CID54870661
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)CNC1CC1
InChIInChI=1S/C14H19N3O2/c1-17(13(18)8-16-12-6-7-12)9-10-2-4-11(5-3-10)14(15)19/h2-5,12,16H,6-9H2,1H3,(H2,15,19)
InChIKeyZSBIRPGAYUHTOG-UHFFFAOYSA-N
XLogP0.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
CID 60812217
2-(cyclopentylamino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60686888
4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579759
N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158559
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451
N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158503
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 62733184
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide?
The IUPAC name of 4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide (CID 54870661) is 4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide?
The canonical SMILES for 4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1)C(=O)CNC1CC1.
What is the InChIKey of 4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide?
The InChIKey is ZSBIRPGAYUHTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(13(18)8-16-12-6-7-12)9-10-2-4-11(5-3-10)14(15)19/h2-5,12,16H,6-9H2,1H3,(H2,15,19).
What are the key properties of 4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide?
4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide has a molecular weight of 261.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 54870661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).