propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate

C15H21NO3 — CID 57116384

IUPACpropyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate
SMILESCCCOC(=O)Cc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C15H21NO3/c1-4-9-19-14(17)10-12-7-5-6-8-13(12)15(18)16-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyCCBHPIDKZBQCLK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.32
Rot. Bonds6

About propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate

propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate (PubChem CID 57116384) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate.

Molecular Properties

Compound Namepropyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate
PubChem CID57116384
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namepropyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate
SMILESCCCOC(=O)Cc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C15H21NO3/c1-4-9-19-14(17)10-12-7-5-6-8-13(12)15(18)16-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyCCBHPIDKZBQCLK-UHFFFAOYSA-N
XLogP2.32
TPSA55.40 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
octyl 2-(propan-2-ylcarbamoyl)benzoate
CID 6423557
methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
CID 124596647
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N,2-di(propan-2-yl)benzamide
CID 14972595
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-(4-propoxybutyl)benzamide
CID 141112112
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199808
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
CID 114150708
N-(4-chlorobutan-2-yl)-2-ethylbenzamide
CID 83179695
propyl 2-benzamidopropanoate
CID 71628004

Frequently Asked Questions

What is the IUPAC name of propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate?
The IUPAC name of propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate (CID 57116384) is propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate.
What is the SMILES notation for propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate?
The canonical SMILES for propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate is CCCOC(=O)Cc1ccccc1C(=O)NC(C)C.
What is the InChIKey of propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate?
The InChIKey is CCBHPIDKZBQCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-9-19-14(17)10-12-7-5-6-8-13(12)15(18)16-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate?
propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate has a molecular weight of 263.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate is sourced from PubChem (CID 57116384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).