3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide

C20H25N3O2 — CID 120588630

IUPAC3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-3-12-22-18(24)16-9-7-8-15(13-16)14-23-19(25)20(2,21)17-10-5-4-6-11-17/h4-11,13H,3,12,14,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQAMXXGSVYJFDSR-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.32
Rot. Bonds7

About 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide

3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide (PubChem CID 120588630) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
PubChem CID120588630
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-3-12-22-18(24)16-9-7-8-15(13-16)14-23-19(25)20(2,21)17-10-5-4-6-11-17/h4-11,13H,3,12,14,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQAMXXGSVYJFDSR-UHFFFAOYSA-N
XLogP2.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 120588629
3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide
CID 120588231
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide
CID 120593008
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
CID 120593007
3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 119949768
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
CID 119287362
4-[[[3-(propylcarbamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030411
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide?
The IUPAC name of 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide (CID 120588630) is 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide?
The canonical SMILES for 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(CNC(=O)C(C)(N)c2ccccc2)c1.
What is the InChIKey of 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide?
The InChIKey is QAMXXGSVYJFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-12-22-18(24)16-9-7-8-15(13-16)14-23-19(25)20(2,21)17-10-5-4-6-11-17/h4-11,13H,3,12,14,21H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide?
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide is sourced from PubChem (CID 120588630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).