N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide

C17H24N2O2 — CID 124885091

IUPACN-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N[C@](C)(C#N)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-16(2,3)17(4,12-18)19-15(20)11-10-13-8-6-7-9-14(13)21-5/h6-9H,10-11H2,1-5H3,(H,19,20)/t17-/m1/s1
InChIKeyXACBCTKNGHKKHQ-QGZVFWFLSA-N
MW288.39 g/mol
LogP3.07
Rot. Bonds5

About N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide

N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide (PubChem CID 124885091) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide
PubChem CID124885091
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N[C@](C)(C#N)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-16(2,3)17(4,12-18)19-15(20)11-10-13-8-6-7-9-14(13)21-5/h6-9H,10-11H2,1-5H3,(H,19,20)/t17-/m1/s1
InChIKeyXACBCTKNGHKKHQ-QGZVFWFLSA-N
XLogP3.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 43360411
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 119572773
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2-aminophenyl)-N-[2-(2-methoxyphenyl)propan-2-yl]propanamide;hydrochloride
CID 120610417
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 40730249

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide (CID 124885091) is N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)N[C@](C)(C#N)C(C)(C)C.
What is the InChIKey of N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is XACBCTKNGHKKHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-16(2,3)17(4,12-18)19-15(20)11-10-13-8-6-7-9-14(13)21-5/h6-9H,10-11H2,1-5H3,(H,19,20)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide?
N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 288.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 124885091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).