(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide

C17H28N2O2 — CID 92514457

IUPAC(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
SMILESCc1ccccc1OCCN(C)[C@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-13-9-7-8-10-15(13)21-12-11-19(6)14(2)16(20)18-17(3,4)5/h7-10,14H,11-12H2,1-6H3,(H,18,20)/t14-/m1/s1
InChIKeyJQLUYHCPBFUGGR-CQSZACIVSA-N
MW292.42 g/mol
LogP2.61
Rot. Bonds6

About (2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide

(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide (PubChem CID 92514457) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
PubChem CID92514457
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
SMILESCc1ccccc1OCCN(C)[C@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-13-9-7-8-10-15(13)21-12-11-19(6)14(2)16(20)18-17(3,4)5/h7-10,14H,11-12H2,1-6H3,(H,18,20)/t14-/m1/s1
InChIKeyJQLUYHCPBFUGGR-CQSZACIVSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 51245206
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 27123609
(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925651
N-(2,5-dimethoxyphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 46630124
N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 18094775
N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
CID 55869495
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol
CID 111488563
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
2-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 24507574
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide (CID 92514457) is (2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide is Cc1ccccc1OCCN(C)[C@H](C)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The InChIKey is JQLUYHCPBFUGGR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-9-7-8-10-15(13)21-12-11-19(6)14(2)16(20)18-17(3,4)5/h7-10,14H,11-12H2,1-6H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide is sourced from PubChem (CID 92514457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).