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

C19H25FN2O4 — CID 91797893

IUPACN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H25FN2O4/c1-22(2)17(23)12-26-16-11-25-10-7-15(16)21-18(24)19(8-9-19)13-5-3-4-6-14(13)20/h3-6,15-16H,7-12H2,1-2H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyKAMFETFVVIZHBH-HZPDHXFCSA-N
MW364.42 g/mol
LogP1.24
Rot. Bonds6

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

N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 91797893) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID91797893
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H25FN2O4/c1-22(2)17(23)12-26-16-11-25-10-7-15(16)21-18(24)19(8-9-19)13-5-3-4-6-14(13)20/h3-6,15-16H,7-12H2,1-2H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyKAMFETFVVIZHBH-HZPDHXFCSA-N
XLogP1.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
CID 91762806
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide
CID 91785227
3-chloro-N-[(3R,4S)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-fluorobenzamide
CID 164636415
1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide
CID 91776750
N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide
CID 91798255
2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide
CID 91795253
N-cyclopropyl-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 53016800
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 91772540
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 91778744
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide
CID 91767911
N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide
CID 90650186

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 91797893) is N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is KAMFETFVVIZHBH-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-22(2)17(23)12-26-16-11-25-10-7-15(16)21-18(24)19(8-9-19)13-5-3-4-6-14(13)20/h3-6,15-16H,7-12H2,1-2H3,(H,21,24)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91797893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).