(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide

C13H20N2O2 — CID 92930680

IUPAC(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)[C@H](C)N
InChIInChI=1S/C13H20N2O2/c1-8(2)17-11-5-6-12(9(3)7-11)15-13(16)10(4)14/h5-8,10H,14H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyGDIWQFHQUZJRPR-JTQLQIEISA-N
MW236.31 g/mol
LogP2.07
Rot. Bonds4

About (2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide

(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide (PubChem CID 92930680) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
PubChem CID92930680
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)[C@H](C)N
InChIInChI=1S/C13H20N2O2/c1-8(2)17-11-5-6-12(9(3)7-11)15-13(16)10(4)14/h5-8,10H,14H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyGDIWQFHQUZJRPR-JTQLQIEISA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
3-chloro-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62727955
2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide
CID 81071157
1-amino-N-(2-methyl-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60927272
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 60926923
4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498313
6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid
CID 60933731
3-methyl-5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 62966092
5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 60933969
(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 94962141

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide (CID 92930680) is (2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide is Cc1cc(OC(C)C)ccc1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide?
The InChIKey is GDIWQFHQUZJRPR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)17-11-5-6-12(9(3)7-11)15-13(16)10(4)14/h5-8,10H,14H2,1-4H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide?
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide has a molecular weight of 236.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 92930680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).