(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide

C14H19NO3 — CID 97072881

IUPAC(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)(C)ONC(=O)[C@H]1COc2ccccc2C1
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-15-13(16)11-8-10-6-4-5-7-12(10)17-9-11/h4-7,11H,8-9H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyHBEJGRVFVAXAEZ-LLVKDONJSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds2

About (3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97072881) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97072881
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)(C)ONC(=O)[C@H]1COc2ccccc2C1
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-15-13(16)11-8-10-6-4-5-7-12(10)17-9-11/h4-7,11H,8-9H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyHBEJGRVFVAXAEZ-LLVKDONJSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
2-(3,4-dihydro-2H-chromene-3-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467724
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003902
N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044830
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 107867745
N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 109380896
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide (CID 97072881) is (3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)(C)ONC(=O)[C@H]1COc2ccccc2C1.
What is the InChIKey of (3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is HBEJGRVFVAXAEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)18-15-13(16)11-8-10-6-4-5-7-12(10)17-9-11/h4-7,11H,8-9H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97072881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).