2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide

C22H27NO2 — CID 4868535

IUPAC2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(=O)C3CC3C)cc2)cc1
InChIInChI=1S/C22H27NO2/c1-5-22(3,4)16-6-10-18(11-7-16)25-19-12-8-17(9-13-19)23-21(24)20-14-15(20)2/h6-13,15,20H,5,14H2,1-4H3,(H,23,24)
InChIKeySYJDUWTUUYZSHM-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.76
Rot. Bonds6

About 2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide

2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide (PubChem CID 4868535) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide
PubChem CID4868535
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(=O)C3CC3C)cc2)cc1
InChIInChI=1S/C22H27NO2/c1-5-22(3,4)16-6-10-18(11-7-16)25-19-12-8-17(9-13-19)23-21(24)20-14-15(20)2/h6-13,15,20H,5,14H2,1-4H3,(H,23,24)
InChIKeySYJDUWTUUYZSHM-UHFFFAOYSA-N
XLogP5.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
CID 129255825
dimethyl 2-(2-methylbutan-2-ylcarbamoyl)-4-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]carbamoyl]cyclobutane-1,3-dicarboxylate
CID 122577582
2-[(1R,2R,6S,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide
CID 100808330
2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide
CID 98106878
2-[(1R,2S,6R,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide
CID 98106879
5-bromo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]furan-2-carboxamide
CID 2435744
1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea
CID 121366725
1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-propan-2-ylthiourea
CID 23847644
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299958
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
(1S,6S)-6-[(4-phenoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795296

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide (CID 4868535) is 2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide is CCC(C)(C)c1ccc(Oc2ccc(NC(=O)C3CC3C)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide?
The InChIKey is SYJDUWTUUYZSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-5-22(3,4)16-6-10-18(11-7-16)25-19-12-8-17(9-13-19)23-21(24)20-14-15(20)2/h6-13,15,20H,5,14H2,1-4H3,(H,23,24).
What are the key properties of 2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 4868535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).