N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide

C16H25NO2 — CID 10682991

IUPACN-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)CCOc1cccc(C(C)C)c1
InChIInChI=1S/C16H25NO2/c1-12(2)14-7-6-8-15(11-14)19-10-9-16(4,5)17-13(3)18/h6-8,11-12H,9-10H2,1-5H3,(H,17,18)
InChIKeyIDFOWRJCKMQVPG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.49
Rot. Bonds6

About N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide

N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide (PubChem CID 10682991) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide
PubChem CID10682991
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)CCOc1cccc(C(C)C)c1
InChIInChI=1S/C16H25NO2/c1-12(2)14-7-6-8-15(11-14)19-10-9-16(4,5)17-13(3)18/h6-8,11-12H,9-10H2,1-5H3,(H,17,18)
InChIKeyIDFOWRJCKMQVPG-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972410
2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
CID 64804329
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-chloro-4-(3-propan-2-ylphenoxy)butan-2-one
CID 92931897
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
4-(3-propan-2-ylphenoxy)butanoyl chloride
CID 82041570
2-oxo-2-[2-(3-propan-2-ylphenoxy)ethylamino]acetic acid
CID 94690399
tert-butyl 8-(3-propan-2-ylphenoxy)octanoate
CID 134574821
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
methyl 2-acetamido-3-(3-propan-2-ylphenoxy)propanoate
CID 65442173
tert-butyl-[2-(3-propan-2-ylphenoxy)ethyl]azanium
CID 2263110
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide?
The IUPAC name of N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide (CID 10682991) is N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide.
What is the SMILES notation for N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide?
The canonical SMILES for N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide is CC(=O)NC(C)(C)CCOc1cccc(C(C)C)c1.
What is the InChIKey of N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide?
The InChIKey is IDFOWRJCKMQVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)14-7-6-8-15(11-14)19-10-9-16(4,5)17-13(3)18/h6-8,11-12H,9-10H2,1-5H3,(H,17,18).
What are the key properties of N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide?
N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide is sourced from PubChem (CID 10682991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).