(2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride

C21H27ClN2O2 — CID 120794963

IUPAC(2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NCC(Cc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C21H26N2O2.ClH/c22-14-19-11-12-20(25-19)21(24)23-15-18(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16;/h1-10,18-20H,11-15,22H2,(H,23,24);1H/t18?,19-,20+;/m1./s1
InChIKeyQNROUVBTIDKXJD-YFCQTHALSA-N
MW374.91 g/mol
LogP3.06
Rot. Bonds7

About (2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120794963) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120794963
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NCC(Cc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C21H26N2O2.ClH/c22-14-19-11-12-20(25-19)21(24)23-15-18(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16;/h1-10,18-20H,11-15,22H2,(H,23,24);1H/t18?,19-,20+;/m1./s1
InChIKeyQNROUVBTIDKXJD-YFCQTHALSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
CID 120784380
(2S,5R)-5-(aminomethyl)-N-(2-methoxy-2-phenylethyl)oxolane-2-carboxamide;hydrochloride
CID 120785607
(2S,5R)-5-(aminomethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)oxolane-2-carboxamide
CID 120797014
(2S,5R)-5-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793169
(2S,5R)-5-(aminomethyl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 120786041
(2S,5R)-5-(aminomethyl)-N-(2-benzylsulfonylethyl)oxolane-2-carboxamide;hydrochloride
CID 120790043
(2S,5R)-5-(aminomethyl)-N-[3-(benzylamino)-3-oxopropyl]oxolane-2-carboxamide;hydrochloride
CID 120790955
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120794703
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
N-(2,3-diphenylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119803971
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
N-(2,3-diphenylpropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110016113

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride (CID 120794963) is (2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)NCC(Cc2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is QNROUVBTIDKXJD-YFCQTHALSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c22-14-19-11-12-20(25-19)21(24)23-15-18(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16;/h1-10,18-20H,11-15,22H2,(H,23,24);1H/t18?,19-,20+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120794963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).