N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide

C20H24N2O4 — CID 91767911

IUPACN-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide
SMILESCN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C20H24N2O4/c1-22(2)19(23)13-26-18-10-11-25-12-17(18)21-20(24)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,17-18H,10-13H2,1-2H3,(H,21,24)/t17-,18+/m1/s1
InChIKeyLMIYQRLKGGWSSY-MSOLQXFVSA-N
MW356.42 g/mol
LogP1.83
Rot. Bonds5

About N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide

N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide (PubChem CID 91767911) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide
PubChem CID91767911
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide
SMILESCN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C20H24N2O4/c1-22(2)19(23)13-26-18-10-11-25-12-17(18)21-20(24)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,17-18H,10-13H2,1-2H3,(H,21,24)/t17-,18+/m1/s1
InChIKeyLMIYQRLKGGWSSY-MSOLQXFVSA-N
XLogP1.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 90647703
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide
CID 91785227
2-[(3R,4S)-3-[(2,3-dimethoxybenzoyl)amino]oxan-4-yl]oxyacetic acid
CID 91780909
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91766384
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]isoquinoline-5-carboxamide
CID 91777302
2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide
CID 90650186
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide
CID 91785665
2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
CID 133268181
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 91778744
3-chloro-N-[(3R,4S)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-fluorobenzamide
CID 164636415
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide (CID 91767911) is N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide is CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide?
The InChIKey is LMIYQRLKGGWSSY-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-22(2)19(23)13-26-18-10-11-25-12-17(18)21-20(24)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,17-18H,10-13H2,1-2H3,(H,21,24)/t17-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide?
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 91767911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).