2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide

C14H22N2O — CID 99821199

IUPAC2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide
SMILESCC[C@@H](C)[C@H](C)Nc1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-5-9(2)11(4)16-12-7-6-10(3)13(8-12)14(15)17/h6-9,11,16H,5H2,1-4H3,(H2,15,17)/t9-,11+/m1/s1
InChIKeyVILPLOQHVAMABN-KOLCDFICSA-N
MW234.34 g/mol
LogP2.94
Rot. Bonds5

About 2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide

2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide (PubChem CID 99821199) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide
PubChem CID99821199
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide
SMILESCC[C@@H](C)[C@H](C)Nc1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-5-9(2)11(4)16-12-7-6-10(3)13(8-12)14(15)17/h6-9,11,16H,5H2,1-4H3,(H2,15,17)/t9-,11+/m1/s1
InChIKeyVILPLOQHVAMABN-KOLCDFICSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-[[(2R,3R)-3-methylpentan-2-yl]amino]benzamide
CID 99821197
methyl 2-chloro-5-(3-methylpentan-2-ylamino)benzoate
CID 43672639
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
2-chloro-4-(3-methylpentan-2-ylamino)benzoic acid
CID 62945460
5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methylbenzamide
CID 95624643
5-[1-(2,5-difluorophenyl)ethylamino]-2-methylbenzamide
CID 56788859
N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43201157
5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
CID 119316574
2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
CID 43683718
4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide
CID 54864938
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide?
The IUPAC name of 2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide (CID 99821199) is 2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide.
What is the SMILES notation for 2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide?
The canonical SMILES for 2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide is CC[C@@H](C)[C@H](C)Nc1ccc(C)c(C(N)=O)c1.
What is the InChIKey of 2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide?
The InChIKey is VILPLOQHVAMABN-KOLCDFICSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-9(2)11(4)16-12-7-6-10(3)13(8-12)14(15)17/h6-9,11,16H,5H2,1-4H3,(H2,15,17)/t9-,11+/m1/s1.
What are the key properties of 2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide?
2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide is sourced from PubChem (CID 99821199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).