(2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride

C17H25ClN2O3 — CID 119321255

IUPAC(2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride
SMILESCCOc1cc2c(cc1C1CC1NC(=O)[C@@H](C)N)OC(C)C2.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-4-21-16-6-11-5-9(2)22-15(11)8-13(16)12-7-14(12)19-17(20)10(3)18;/h6,8-10,12,14H,4-5,7,18H2,1-3H3,(H,19,20);1H/t9?,10-,12?,14?;/m1./s1
InChIKeyDQYDSAIJDQMJJR-XXRPAWPBSA-N
MW340.85 g/mol
LogP2.15
Rot. Bonds5

About (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride (PubChem CID 119321255) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride
PubChem CID119321255
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name(2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride
SMILESCCOc1cc2c(cc1C1CC1NC(=O)[C@@H](C)N)OC(C)C2.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-4-21-16-6-11-5-9(2)22-15(11)8-13(16)12-7-14(12)19-17(20)10(3)18;/h6,8-10,12,14H,4-5,7,18H2,1-3H3,(H,19,20);1H/t9?,10-,12?,14?;/m1./s1
InChIKeyDQYDSAIJDQMJJR-XXRPAWPBSA-N
XLogP2.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989363
3-[[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]carbamoyl-methylamino]propanoic acid
CID 122001284
(2S,5R)-5-(aminomethyl)-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]oxolane-2-carboxamide
CID 120792694
1-[[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122001280
cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid
CID 51888079
(2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
CID 119272698
2-amino-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 24695376
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
(2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide
CID 79011910
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697410
(2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride
CID 120873345
(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
CID 51646726

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride (CID 119321255) is (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride is CCOc1cc2c(cc1C1CC1NC(=O)[C@@H](C)N)OC(C)C2.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride?
The InChIKey is DQYDSAIJDQMJJR-XXRPAWPBSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-4-21-16-6-11-5-9(2)22-15(11)8-13(16)12-7-14(12)19-17(20)10(3)18;/h6,8-10,12,14H,4-5,7,18H2,1-3H3,(H,19,20);1H/t9?,10-,12?,14?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride is sourced from PubChem (CID 119321255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).