[3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate

C15H21NO3 — CID 137432073

IUPAC[3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate
SMILESCC(COC(=O)C(C)C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C15H21NO3/c1-10(2)15(18)19-9-11(3)7-12-5-4-6-13(8-12)14(16)17/h4-6,8,10-11H,7,9H2,1-3H3,(H2,16,17)
InChIKeyYHURZSWFUKPDLC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.16
Rot. Bonds6

About [3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate

[3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate (PubChem CID 137432073) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate.

Molecular Properties

Compound Name[3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate
PubChem CID137432073
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate
SMILESCC(COC(=O)C(C)C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C15H21NO3/c1-10(2)15(18)19-9-11(3)7-12-5-4-6-13(8-12)14(16)17/h4-6,8,10-11H,7,9H2,1-3H3,(H2,16,17)
InChIKeyYHURZSWFUKPDLC-UHFFFAOYSA-N
XLogP2.16
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropyl)benzamide
CID 23130390
3-(sulfanylmethyl)benzamide
CID 118350806
(3-carbamoylphenyl)methyl 2-ethylbutanoate
CID 60562017
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide
CID 115659478
methane;3-(3-oxopropyl)benzamide
CID 178062718
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 66089913
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
CID 111468183
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-benzylbenzamide;hydrochloride
CID 159409318
[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537

Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate?
The IUPAC name of [3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate (CID 137432073) is [3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate.
What is the SMILES notation for [3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate?
The canonical SMILES for [3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate is CC(COC(=O)C(C)C)Cc1cccc(C(N)=O)c1.
What is the InChIKey of [3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate?
The InChIKey is YHURZSWFUKPDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)15(18)19-9-11(3)7-12-5-4-6-13(8-12)14(16)17/h4-6,8,10-11H,7,9H2,1-3H3,(H2,16,17).
What are the key properties of [3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate?
[3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoylphenyl)-2-methylpropyl] 2-methylpropanoate is sourced from PubChem (CID 137432073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).