2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide

C16H25NO2 — CID 110481366

IUPAC2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-6-12(7-2)15(18)17-13-8-10-14(11-9-13)19-16(3,4)5/h8-12H,6-7H2,1-5H3,(H,17,18)
InChIKeyGRUBDCVOPVURPP-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.24
Rot. Bonds5

About 2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide

2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide (PubChem CID 110481366) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
PubChem CID110481366
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-6-12(7-2)15(18)17-13-8-10-14(11-9-13)19-16(3,4)5/h8-12H,6-7H2,1-5H3,(H,17,18)
InChIKeyGRUBDCVOPVURPP-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
CID 119305650
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 110480815
3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 98784394
2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
CID 119752817
1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea
CID 111969776
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide (CID 110481366) is 2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide?
The InChIKey is GRUBDCVOPVURPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-12(7-2)15(18)17-13-8-10-14(11-9-13)19-16(3,4)5/h8-12H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide?
2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide has a molecular weight of 263.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide is sourced from PubChem (CID 110481366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).