3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide

C20H25N3O4 — CID 97456251

IUPAC3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide
SMILESCc1ccc(OC[C@H](O)CNC(=O)Nc2cccc(C(N)=O)c2C)c(C)c1
InChIInChI=1S/C20H25N3O4/c1-12-7-8-18(13(2)9-12)27-11-15(24)10-22-20(26)23-17-6-4-5-16(14(17)3)19(21)25/h4-9,15,24H,10-11H2,1-3H3,(H2,21,25)(H2,22,23,26)/t15-/m1/s1
InChIKeyGMZBSCVOUCWWCC-OAHLLOKOSA-N
MW371.44 g/mol
LogP2.27
Rot. Bonds7

About 3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide

3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide (PubChem CID 97456251) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide
PubChem CID97456251
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide
SMILESCc1ccc(OC[C@H](O)CNC(=O)Nc2cccc(C(N)=O)c2C)c(C)c1
InChIInChI=1S/C20H25N3O4/c1-12-7-8-18(13(2)9-12)27-11-15(24)10-22-20(26)23-17-6-4-5-16(14(17)3)19(21)25/h4-9,15,24H,10-11H2,1-3H3,(H2,21,25)(H2,22,23,26)/t15-/m1/s1
InChIKeyGMZBSCVOUCWWCC-OAHLLOKOSA-N
XLogP2.27
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide
CID 95706566
1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110907958
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide
CID 53284293
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
CID 110903857
3-[3-(2-bromo-4-methylphenoxy)propanoylamino]-2-methylbenzamide
CID 86851764
1-[(2,4-dimethylphenoxy)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108870558
2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 118244198
N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 16781912
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide?
The IUPAC name of 3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide (CID 97456251) is 3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide?
The canonical SMILES for 3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide is Cc1ccc(OC[C@H](O)CNC(=O)Nc2cccc(C(N)=O)c2C)c(C)c1.
What is the InChIKey of 3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide?
The InChIKey is GMZBSCVOUCWWCC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12-7-8-18(13(2)9-12)27-11-15(24)10-22-20(26)23-17-6-4-5-16(14(17)3)19(21)25/h4-9,15,24H,10-11H2,1-3H3,(H2,21,25)(H2,22,23,26)/t15-/m1/s1.
What are the key properties of 3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide?
3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide has a molecular weight of 371.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide is sourced from PubChem (CID 97456251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).