N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide

C12H23N3O2 — CID 141179173

IUPACN-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
SMILESCCN(CC)C[C@@H]1OC=C[C@H](N)[C@H]1NC(C)=O
InChIInChI=1S/C12H23N3O2/c1-4-15(5-2)8-11-12(14-9(3)16)10(13)6-7-17-11/h6-7,10-12H,4-5,8,13H2,1-3H3,(H,14,16)/t10-,11-,12+/m0/s1
InChIKeySWMSAXXNKKRVFU-SDDRHHMPSA-N
MW241.33 g/mol
LogP0.07
Rot. Bonds5

About N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide

N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide (PubChem CID 141179173) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
PubChem CID141179173
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
SMILESCCN(CC)C[C@@H]1OC=C[C@H](N)[C@H]1NC(C)=O
InChIInChI=1S/C12H23N3O2/c1-4-15(5-2)8-11-12(14-9(3)16)10(13)6-7-17-11/h6-7,10-12H,4-5,8,13H2,1-3H3,(H,14,16)/t10-,11-,12+/m0/s1
InChIKeySWMSAXXNKKRVFU-SDDRHHMPSA-N
XLogP0.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 140985242
N-[(2S,3R,4S)-4-amino-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-3-yl]acetamide
CID 141179166
N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
CID 141179172
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55030349
1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55030644
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
CID 62064201
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide
CID 62064202
2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide
CID 62064229
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone
CID 62064231
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 62064232
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 62064233
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
CID 62064241

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide (CID 141179173) is N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide is CCN(CC)C[C@@H]1OC=C[C@H](N)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide?
The InChIKey is SWMSAXXNKKRVFU-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-15(5-2)8-11-12(14-9(3)16)10(13)6-7-17-11/h6-7,10-12H,4-5,8,13H2,1-3H3,(H,14,16)/t10-,11-,12+/m0/s1.
What are the key properties of N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide?
N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide has a molecular weight of 241.33 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide is sourced from PubChem (CID 141179173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).