2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

C16H25N3O3 — CID 135104422

IUPAC2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCOCCN(C)CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C16H25N3O3/c1-19(7-8-21-2)10-16(20)18-15-12-22-11-14(15)9-13-3-5-17-6-4-13/h3-6,14-15H,7-12H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyMJRMCTSOQRPRMP-HUUCEWRRSA-N
MW307.39 g/mol
LogP0.33
Rot. Bonds8

About 2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 135104422) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID135104422
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCOCCN(C)CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C16H25N3O3/c1-19(7-8-21-2)10-16(20)18-15-12-22-11-14(15)9-13-3-5-17-6-4-13/h3-6,14-15H,7-12H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyMJRMCTSOQRPRMP-HUUCEWRRSA-N
XLogP0.33
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134712034
2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
2-(2-methoxyphenoxy)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135094569
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918726
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (CID 135104422) is 2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is COCCN(C)CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is MJRMCTSOQRPRMP-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-19(7-8-21-2)10-16(20)18-15-12-22-11-14(15)9-13-3-5-17-6-4-13/h3-6,14-15H,7-12H2,1-2H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 135104422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).