(2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride

C18H28ClN3O3 — CID 120794955

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-4-21(18(23)15-9-8-14(10-19)24-15)11-16(22)20-17-12(2)6-5-7-13(17)3;/h5-7,14-15H,4,8-11,19H2,1-3H3,(H,20,22);1H/t14-,15+;/m1./s1
InChIKeyWQRWTMWMHHMOHO-LIOBNPLQSA-N
MW369.89 g/mol
LogP2.02
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride (PubChem CID 120794955) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride
PubChem CID120794955
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-4-21(18(23)15-9-8-14(10-19)24-15)11-16(22)20-17-12(2)6-5-7-13(17)3;/h5-7,14-15H,4,8-11,19H2,1-3H3,(H,20,22);1H/t14-,15+;/m1./s1
InChIKeyWQRWTMWMHHMOHO-LIOBNPLQSA-N
XLogP2.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2,3-dimethylphenyl)-N-ethyloxolane-2-carboxamide;hydrochloride
CID 120788019
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-hydroxycyclopentane-1-carboxamide
CID 110015978
(2S,5R)-5-(aminomethyl)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyloxolane-2-carboxamide;hydrochloride
CID 120783767
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119335151
(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782647
(2S,5R)-5-(aminomethyl)-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120783891
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
(2S,5R)-5-(aminomethyl)-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]oxolane-2-carboxamide
CID 120790738
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 84562403
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
CID 120800635
(2S,5R)-5-(aminomethyl)-N-[2-(3-ethylanilino)-2-oxoethyl]oxolane-2-carboxamide;hydrochloride
CID 120791103

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride (CID 120794955) is (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride is CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CC[C@H](CN)O1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride?
The InChIKey is WQRWTMWMHHMOHO-LIOBNPLQSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-4-21(18(23)15-9-8-14(10-19)24-15)11-16(22)20-17-12(2)6-5-7-13(17)3;/h5-7,14-15H,4,8-11,19H2,1-3H3,(H,20,22);1H/t14-,15+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120794955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).