(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide

C13H20N2O2 — CID 93360503

IUPAC(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccccc1NC(=O)[C@H](C)N
InChIInChI=1S/C13H20N2O2/c1-9(2)8-17-12-7-5-4-6-11(12)15-13(16)10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyXTCBFDFKXGSQFC-JTQLQIEISA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds5

About (2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide

(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide (PubChem CID 93360503) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
PubChem CID93360503
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccccc1NC(=O)[C@H](C)N
InChIInChI=1S/C13H20N2O2/c1-9(2)8-17-12-7-5-4-6-11(12)15-13(16)10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyXTCBFDFKXGSQFC-JTQLQIEISA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119341255
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
2-amino-N-[2-(2-methylpropoxy)phenyl]hexanamide
CID 60928386
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
CID 119302241
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 60927264
2-(4-methoxyphenoxy)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17074273
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide (CID 93360503) is (2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide is CC(C)COc1ccccc1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is XTCBFDFKXGSQFC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)8-17-12-7-5-4-6-11(12)15-13(16)10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide?
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 2.01, 5 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-(2-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 93360503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).