(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C15H15NO3 — CID 97275381

IUPAC(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccoc1)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C15H15NO3/c17-15(16-8-11-5-6-18-9-11)13-7-12-3-1-2-4-14(12)19-10-13/h1-6,9,13H,7-8,10H2,(H,16,17)/t13-/m0/s1
InChIKeyFNCJBBINXXGCQL-ZDUSSCGKSA-N
MW257.29 g/mol
LogP2.15
Rot. Bonds3

About (3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97275381) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97275381
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccoc1)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C15H15NO3/c17-15(16-8-11-5-6-18-9-11)13-7-12-3-1-2-4-14(12)19-10-13/h1-6,9,13H,7-8,10H2,(H,16,17)/t13-/m0/s1
InChIKeyFNCJBBINXXGCQL-ZDUSSCGKSA-N
XLogP2.15
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46674166
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72873004
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46494494
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
5-[(3,4-dihydro-2H-chromene-3-carbonylamino)methyl]thiophene-2-carboxylic acid
CID 122111115

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 97275381) is (3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCc1ccoc1)[C@@H]1COc2ccccc2C1.
What is the InChIKey of (3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FNCJBBINXXGCQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(16-8-11-5-6-18-9-11)13-7-12-3-1-2-4-14(12)19-10-13/h1-6,9,13H,7-8,10H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97275381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).