N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane

C24H35NO3 — CID 142030854

IUPACN-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane
SMILESC.CCCC(=O)Nc1cc(C)c(Oc2ccc(OC)c(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C23H31NO3.CH4/c1-8-9-21(25)24-17-12-15(2)22(16(3)13-17)27-18-10-11-20(26-7)19(14-18)23(4,5)6;/h10-14H,8-9H2,1-7H3,(H,24,25);1H4
InChIKeyAWXQZMXPYFNCKC-UHFFFAOYSA-N
MW385.55 g/mol
LogP6.78
Rot. Bonds6

About N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane

N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane (PubChem CID 142030854) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane.

Molecular Properties

Compound NameN-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane
PubChem CID142030854
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC NameN-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane
SMILESC.CCCC(=O)Nc1cc(C)c(Oc2ccc(OC)c(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C23H31NO3.CH4/c1-8-9-21(25)24-17-12-15(2)22(16(3)13-17)27-18-10-11-20(26-7)19(14-18)23(4,5)6;/h10-14H,8-9H2,1-7H3,(H,24,25);1H4
InChIKeyAWXQZMXPYFNCKC-UHFFFAOYSA-N
XLogP6.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide
CID 139938192
2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863
tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate
CID 142030848
N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide
CID 115173478
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
tert-butyl 4-(4-methoxy-3-methylanilino)-4-oxobutanoate
CID 106707197
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 47877564
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037265
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide
CID 59266075
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
4-[2-[2-(2,4-ditert-butylphenoxy)acetyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 17356767
3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide
CID 55121493

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane?
The IUPAC name of N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane (CID 142030854) is N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane.
What is the SMILES notation for N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane?
The canonical SMILES for N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane is C.CCCC(=O)Nc1cc(C)c(Oc2ccc(OC)c(C(C)(C)C)c2)c(C)c1.
What is the InChIKey of N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane?
The InChIKey is AWXQZMXPYFNCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3.CH4/c1-8-9-21(25)24-17-12-15(2)22(16(3)13-17)27-18-10-11-20(26-7)19(14-18)23(4,5)6;/h10-14H,8-9H2,1-7H3,(H,24,25);1H4.
What are the key properties of N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane?
N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane has a molecular weight of 385.55 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane is sourced from PubChem (CID 142030854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).