N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide

C18H29NO2 — CID 100749422

IUPACN-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C(C)C)C(C)C)cc1C
InChIInChI=1S/C18H29NO2/c1-12(2)18(13(3)4)19-17(20)10-8-15-7-9-16(21-6)14(5)11-15/h7,9,11-13,18H,8,10H2,1-6H3,(H,19,20)
InChIKeyKEZMRZDFDYKLGW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.73
Rot. Bonds7

About N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide

N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide (PubChem CID 100749422) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
PubChem CID100749422
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C(C)C)C(C)C)cc1C
InChIInChI=1S/C18H29NO2/c1-12(2)18(13(3)4)19-17(20)10-8-15-7-9-16(21-6)14(5)11-15/h7,9,11-13,18H,8,10H2,1-6H3,(H,19,20)
InChIKeyKEZMRZDFDYKLGW-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
CID 110835538
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 133210929
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 100550206
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133158339
N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 177141881
(2S)-2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 61137171
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide (CID 100749422) is N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide is COc1ccc(CCC(=O)NC(C(C)C)C(C)C)cc1C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide?
The InChIKey is KEZMRZDFDYKLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(2)18(13(3)4)19-17(20)10-8-15-7-9-16(21-6)14(5)11-15/h7,9,11-13,18H,8,10H2,1-6H3,(H,19,20).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide?
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide has a molecular weight of 291.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide is sourced from PubChem (CID 100749422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).