(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide

C17H27N3O2 — CID 120798364

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide
SMILESCCN(CCNC(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1C
InChIInChI=1S/C17H27N3O2/c1-3-20(15-7-5-4-6-13(15)2)11-10-19-17(21)16-9-8-14(12-18)22-16/h4-7,14,16H,3,8-12,18H2,1-2H3,(H,19,21)/t14-,16+/m1/s1
InChIKeyRKDAGHLPTMFCAB-ZBFHGGJFSA-N
MW305.42 g/mol
LogP1.44
Rot. Bonds7

About (2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide (PubChem CID 120798364) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide
PubChem CID120798364
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide
SMILESCCN(CCNC(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1C
InChIInChI=1S/C17H27N3O2/c1-3-20(15-7-5-4-6-13(15)2)11-10-19-17(21)16-9-8-14(12-18)22-16/h4-7,14,16H,3,8-12,18H2,1-2H3,(H,19,21)/t14-,16+/m1/s1
InChIKeyRKDAGHLPTMFCAB-ZBFHGGJFSA-N
XLogP1.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[3-(N-ethylanilino)propyl]oxolane-2-carboxamide;dihydrochloride
CID 120797271
(2S,5R)-5-(aminomethyl)-N-(2,3-dimethylphenyl)-N-ethyloxolane-2-carboxamide;hydrochloride
CID 120788019
(2S,5R)-5-(aminomethyl)-N-[3-(diethylamino)propyl]oxolane-2-carboxamide
CID 120796832
(2S,5R)-5-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793169
N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410
1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112827008
1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide
CID 55873731
(2S,5R)-5-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120799727
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119853416
(2S,5R)-5-(aminomethyl)-N-[3-(dipropylamino)propyl]oxolane-2-carboxamide
CID 120798880
(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782647
(2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784268

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide (CID 120798364) is (2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide is CCN(CCNC(=O)[C@@H]1CC[C@H](CN)O1)c1ccccc1C.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide?
The InChIKey is RKDAGHLPTMFCAB-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-20(15-7-5-4-6-13(15)2)11-10-19-17(21)16-9-8-14(12-18)22-16/h4-7,14,16H,3,8-12,18H2,1-2H3,(H,19,21)/t14-,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.44, 7 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-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120798364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).