(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride

C15H22Cl2N2O2 — CID 119303662

IUPAC(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-11(17)14(19)18-10-15(6-8-20-9-7-15)12-2-4-13(16)5-3-12;/h2-5,11H,6-10,17H2,1H3,(H,18,19);1H/t11-;/m1./s1
InChIKeyJSHQDTZHSKCCEF-RFVHGSKJSA-N
MW333.26 g/mol
LogP2.27
Rot. Bonds4

About (2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride

(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride (PubChem CID 119303662) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
PubChem CID119303662
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-11(17)14(19)18-10-15(6-8-20-9-7-15)12-2-4-13(16)5-3-12;/h2-5,11H,6-10,17H2,1H3,(H,18,19);1H/t11-;/m1./s1
InChIKeyJSHQDTZHSKCCEF-RFVHGSKJSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
CID 60575805
(2R)-2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]propanamide
CID 119303817
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524
2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylpentanamide;hydrochloride
CID 119749451
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 118786770

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride (CID 119303662) is (2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1.Cl.
What is the InChIKey of (2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride?
The InChIKey is JSHQDTZHSKCCEF-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-11(17)14(19)18-10-15(6-8-20-9-7-15)12-2-4-13(16)5-3-12;/h2-5,11H,6-10,17H2,1H3,(H,18,19);1H/t11-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119303662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).