1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone

C17H25NO2 — CID 10850019

IUPAC1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone
SMILESCCCN(C(C)C)[C@H]1COc2cccc(C(C)=O)c2C1
InChIInChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3/t14-/m1/s1
InChIKeyZYESZLRISGYBQK-CQSZACIVSA-N
MW275.39 g/mol
LogP3.31
Rot. Bonds5

About 1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone

1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone (PubChem CID 10850019) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone
PubChem CID10850019
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone
SMILESCCCN(C(C)C)[C@H]1COc2cccc(C(C)=O)c2C1
InChIInChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3/t14-/m1/s1
InChIKeyZYESZLRISGYBQK-CQSZACIVSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Robalzotan
CID 3055171
Ebalzotan
CID 9797080
Ketocaine
CID 68946
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CID 10084845
(R)-3-(N-Isopropyl,N-n-propylamino)-5-methoxycarbonylchroman
CID 10108338
(R)-3-(Dicyclobutylamino)-8-fluorochroman-5-carboxamide
CID 12016890
5-[(4-Fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 2151914
(3H)robalzotan
CID 10591800
methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate
CID 10591590
(3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 10709505
(R)-3-(Cyclopentyl(propyl)amino)-N-methylchromane-5-carboxamide
CID 10757809
(3-isopropoxyphenyl)[1-(tetrahydro-2H-pyran-4-yl)-3-piperidinyl]methanone
CID 16188583

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone (CID 10850019) is 1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone is CCCN(C(C)C)[C@H]1COc2cccc(C(C)=O)c2C1.
What is the InChIKey of 1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone?
The InChIKey is ZYESZLRISGYBQK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone?
1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone is sourced from PubChem (CID 10850019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).