(3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C16H18F3NO3 — CID 124627199

IUPAC(3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)N(CC(F)(F)F)C1CC1)CO2
InChIInChI=1S/C16H18F3NO3/c1-22-13-4-5-14-10(7-13)6-11(8-23-14)15(21)20(12-2-3-12)9-16(17,18)19/h4-5,7,11-12H,2-3,6,8-9H2,1H3/t11-/m0/s1
InChIKeyDIYJCDYQNOIHCD-NSHDSACASA-N
MW329.32 g/mol
LogP2.80
Rot. Bonds4

About (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 124627199) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID124627199
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name(3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)N(CC(F)(F)F)C1CC1)CO2
InChIInChI=1S/C16H18F3NO3/c1-22-13-4-5-14-10(7-13)6-11(8-23-14)15(21)20(12-2-3-12)9-16(17,18)19/h4-5,7,11-12H,2-3,6,8-9H2,1H3/t11-/m0/s1
InChIKeyDIYJCDYQNOIHCD-NSHDSACASA-N
XLogP2.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid
CID 119358196
(3R)-N-cyclopropyl-7-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050922
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
N-(1-amino-2-methylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 119523565
(3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124617356
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119574427
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119512676
(3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95152442

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 124627199) is (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)C[C@H](C(=O)N(CC(F)(F)F)C1CC1)CO2.
What is the InChIKey of (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DIYJCDYQNOIHCD-NSHDSACASA-N. The full InChI is InChI=1S/C16H18F3NO3/c1-22-13-4-5-14-10(7-13)6-11(8-23-14)15(21)20(12-2-3-12)9-16(17,18)19/h4-5,7,11-12H,2-3,6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 329.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 124627199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).