[(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate

C18H23FN2O3 — CID 70140889

IUPAC[(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate
SMILESNC(=O)Oc1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2
InChIInChI=1S/C18H23FN2O3/c19-15-7-8-16(24-18(20)22)14-9-13(10-23-17(14)15)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1
InChIKeyRGFRXSNDVBNGJN-CYBMUJFWSA-N
MW334.39 g/mol
LogP2.99
Rot. Bonds4

About [(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate

[(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate (PubChem CID 70140889) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is [(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate.

Molecular Properties

Compound Name[(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate
PubChem CID70140889
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name[(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate
SMILESNC(=O)Oc1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2
InChIInChI=1S/C18H23FN2O3/c19-15-7-8-16(24-18(20)22)14-9-13(10-23-17(14)15)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1
InChIKeyRGFRXSNDVBNGJN-CYBMUJFWSA-N
XLogP2.99
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol
CID 54552478
3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 22118799
[(3R)-3-(dipropylamino)-8-fluoro-3,4-dihydro-2H-chromen-5-yl] trifluoromethanesulfonate
CID 22853674
(3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 20640362
(3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol
CID 54124021
3-[cyclobutyl-[4-(7-methoxy-1-benzofuran-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69426695
3-[cyclobutyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 25139066
(3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 67703406
5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 130061481
(3R)-8-fluoro-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carbaldehyde
CID 22853675
(3S)-3-[3-(5-cyano-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 25138744
3-[ethyl-[4-(7-methoxy-1-benzofuran-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69428548

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate?
The IUPAC name of [(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate (CID 70140889) is [(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate.
What is the SMILES notation for [(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate?
The canonical SMILES for [(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate is NC(=O)Oc1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2.
What is the InChIKey of [(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate?
The InChIKey is RGFRXSNDVBNGJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-15-7-8-16(24-18(20)22)14-9-13(10-23-17(14)15)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1.
What are the key properties of [(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate?
[(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate has a molecular weight of 334.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate is sourced from PubChem (CID 70140889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).