(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide

C13H20N2O2 — CID 119306295

IUPAC(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
SMILESCC(C)OCc1cccc(NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)17-8-11-5-4-6-12(7-11)15-13(16)10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyRHTVIGNJMXZULU-SNVBAGLBSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds5

About (2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide

(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide (PubChem CID 119306295) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
PubChem CID119306295
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
SMILESCC(C)OCc1cccc(NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)17-8-11-5-4-6-12(7-11)15-13(16)10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyRHTVIGNJMXZULU-SNVBAGLBSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
CID 119753959
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
(2S)-2-amino-4-methylsulfanyl-N-[3-(propan-2-yloxymethyl)phenyl]butanamide
CID 119306285
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
CID 119322800
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
(2S)-2-amino-N-[3-(2-butoxyethoxymethyl)phenyl]propanamide;hydrochloride
CID 119306540
[3-(2-methylpropanoylamino)phenyl]methyl 2-methylpropanoate
CID 58730762
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide (CID 119306295) is (2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide is CC(C)OCc1cccc(NC(=O)[C@@H](C)N)c1.
What is the InChIKey of (2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The InChIKey is RHTVIGNJMXZULU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)17-8-11-5-4-6-12(7-11)15-13(16)10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide is sourced from PubChem (CID 119306295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).