2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide

C20H24N4O3 — CID 164571646

IUPAC2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide
SMILESCC(C)(NC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1CN)C(N)=O
InChIInChI=1S/C20H24N4O3/c1-20(2,19(22)27)24-18(26)16-11-15(9-8-14(16)12-21)23-17(25)10-13-6-4-3-5-7-13/h3-9,11H,10,12,21H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)
InChIKeyQXUCCRZXGPAWBB-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.32
Rot. Bonds7

About 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide

2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide (PubChem CID 164571646) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide
PubChem CID164571646
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide
SMILESCC(C)(NC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1CN)C(N)=O
InChIInChI=1S/C20H24N4O3/c1-20(2,19(22)27)24-18(26)16-11-15(9-8-14(16)12-21)23-17(25)10-13-6-4-3-5-7-13/h3-9,11H,10,12,21H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)
InChIKeyQXUCCRZXGPAWBB-UHFFFAOYSA-N
XLogP1.32
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide (CID 164571646) is 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide is CC(C)(NC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1CN)C(N)=O.
What is the InChIKey of 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide?
The InChIKey is QXUCCRZXGPAWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(2,19(22)27)24-18(26)16-11-15(9-8-14(16)12-21)23-17(25)10-13-6-4-3-5-7-13/h3-9,11H,10,12,21H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26).
What are the key properties of 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide?
2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 164571646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).