(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide

C20H32N2O3 — CID 120796178

IUPAC(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide
SMILESCCCOc1ccccc1C(CC(C)C)NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C20H32N2O3/c1-4-11-24-18-8-6-5-7-16(18)17(12-14(2)3)22-20(23)19-10-9-15(13-21)25-19/h5-8,14-15,17,19H,4,9-13,21H2,1-3H3,(H,22,23)/t15-,17?,19+/m1/s1
InChIKeyKXWMTLKNNPQSMR-LZUBQGRKSA-N
MW348.49 g/mol
LogP3.19
Rot. Bonds9

About (2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide (PubChem CID 120796178) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide
PubChem CID120796178
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide
SMILESCCCOc1ccccc1C(CC(C)C)NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C20H32N2O3/c1-4-11-24-18-8-6-5-7-16(18)17(12-14(2)3)22-20(23)19-10-9-15(13-21)25-19/h5-8,14-15,17,19H,4,9-13,21H2,1-3H3,(H,22,23)/t15-,17?,19+/m1/s1
InChIKeyKXWMTLKNNPQSMR-LZUBQGRKSA-N
XLogP3.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
CID 120783910
(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide
CID 120787234
4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide
CID 120563941
(2S,5R)-5-(aminomethyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]oxolane-2-carboxamide
CID 120794616
4-[[3-methyl-1-(2-propoxyphenyl)butyl]amino]cyclohexane-1-carboxylic acid
CID 122031839
(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]oxolane-2-carboxamide
CID 120791690
N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119812339
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide
CID 120793016
(2S,5R)-5-(aminomethyl)-N-(4-methyl-2-propoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120787723
(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide
CID 120794662
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide (CID 120796178) is (2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide is CCCOc1ccccc1C(CC(C)C)NC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide?
The InChIKey is KXWMTLKNNPQSMR-LZUBQGRKSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-11-24-18-8-6-5-7-16(18)17(12-14(2)3)22-20(23)19-10-9-15(13-21)25-19/h5-8,14-15,17,19H,4,9-13,21H2,1-3H3,(H,22,23)/t15-,17?,19+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.19, 9 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-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide is sourced from PubChem (CID 120796178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).