N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide

C20H25N3O2 — CID 95302647

IUPACN-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(N[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-14(16-8-5-4-6-9-16)13-22-19(24)15(2)23-18-11-7-10-17(12-18)20(25)21-3/h4-12,14-15,23H,13H2,1-3H3,(H,21,25)(H,22,24)/t14-,15+/m0/s1
InChIKeyPGSQAJJQNUEKDE-LSDHHAIUSA-N
MW339.44 g/mol
LogP2.77
Rot. Bonds7

About N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide

N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide (PubChem CID 95302647) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide
PubChem CID95302647
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(N[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-14(16-8-5-4-6-9-16)13-22-19(24)15(2)23-18-11-7-10-17(12-18)20(25)21-3/h4-12,14-15,23H,13H2,1-3H3,(H,21,25)(H,22,24)/t14-,15+/m0/s1
InChIKeyPGSQAJJQNUEKDE-LSDHHAIUSA-N
XLogP2.77
TPSA70.23 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 ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
CID 47120773
3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 18126658
N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
3-[2-(3-iodoanilino)propanoylamino]-N-methylbenzamide
CID 112811069
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide
CID 18086382
3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 17485799
(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide
CID 95255142
3-(2-phenylpropylamino)benzoic acid
CID 43139349
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
CID 17393629
N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
CID 47033148
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide?
The IUPAC name of N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide (CID 95302647) is N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide is CNC(=O)c1cccc(N[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1.
What is the InChIKey of N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide?
The InChIKey is PGSQAJJQNUEKDE-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(16-8-5-4-6-9-16)13-22-19(24)15(2)23-18-11-7-10-17(12-18)20(25)21-3/h4-12,14-15,23H,13H2,1-3H3,(H,21,25)(H,22,24)/t14-,15+/m0/s1.
What are the key properties of N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide?
N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide is sourced from PubChem (CID 95302647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).