N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide

C16H23NO3 — CID 130179921

IUPACN-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCCCOC[C@H](C)NC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C16H23NO3/c1-3-10-19-11-12(2)17-16(18)15-9-8-13-6-4-5-7-14(13)20-15/h4-7,12,15H,3,8-11H2,1-2H3,(H,17,18)/t12-,15?/m0/s1
InChIKeyCKGDSZOLLQYTMF-SFVWDYPZSA-N
MW277.36 g/mol
LogP2.31
Rot. Bonds6

About N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide

N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 130179921) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID130179921
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCCCOC[C@H](C)NC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C16H23NO3/c1-3-10-19-11-12(2)17-16(18)15-9-8-13-6-4-5-7-14(13)20-15/h4-7,12,15H,3,8-11H2,1-2H3,(H,17,18)/t12-,15?/m0/s1
InChIKeyCKGDSZOLLQYTMF-SFVWDYPZSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 130179921) is N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide is CCCOC[C@H](C)NC(=O)C1CCc2ccccc2O1.
What is the InChIKey of N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is CKGDSZOLLQYTMF-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-10-19-11-12(2)17-16(18)15-9-8-13-6-4-5-7-14(13)20-15/h4-7,12,15H,3,8-11H2,1-2H3,(H,17,18)/t12-,15?/m0/s1.
What are the key properties of N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 130179921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).