N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide

C14H15NO3 — CID 908267

IUPACN-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide
SMILESCc1coc2c1[C@@H](NC(=O)c1ccco1)CCC2
InChIInChI=1S/C14H15NO3/c1-9-8-18-11-5-2-4-10(13(9)11)15-14(16)12-6-3-7-17-12/h3,6-8,10H,2,4-5H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyBPNXHYVDFMCYNN-JTQLQIEISA-N
MW245.28 g/mol
LogP2.99
Rot. Bonds2

About N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide

N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide (PubChem CID 908267) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide
PubChem CID908267
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide
SMILESCc1coc2c1[C@@H](NC(=O)c1ccco1)CCC2
InChIInChI=1S/C14H15NO3/c1-9-8-18-11-5-2-4-10(13(9)11)15-14(16)12-6-3-7-17-12/h3,6-8,10H,2,4-5H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyBPNXHYVDFMCYNN-JTQLQIEISA-N
XLogP2.99
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-2-carboxamide
CID 95740666
4-chloro-N-(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-nitrobenzamide
CID 4712900
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
CID 27451326
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
N-cyclopentyloxyfuran-2-carboxamide
CID 83201943
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
CID 25461233
N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
CID 42987280

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide (CID 908267) is N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide is Cc1coc2c1[C@@H](NC(=O)c1ccco1)CCC2.
What is the InChIKey of N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide?
The InChIKey is BPNXHYVDFMCYNN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-8-18-11-5-2-4-10(13(9)11)15-14(16)12-6-3-7-17-12/h3,6-8,10H,2,4-5H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide?
N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-2-carboxamide is sourced from PubChem (CID 908267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).