N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H17NO3 — CID 115577899

IUPACN-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)C1COc2ccccc2C1
InChIInChI=1S/C17H17NO3/c19-15-7-5-12(6-8-15)10-18-17(20)14-9-13-3-1-2-4-16(13)21-11-14/h1-8,14,19H,9-11H2,(H,18,20)
InChIKeySKMOPIMHTPNQCH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.26
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 115577899) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID115577899
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)C1COc2ccccc2C1
InChIInChI=1S/C17H17NO3/c19-15-7-5-12(6-8-15)10-18-17(20)14-9-13-3-1-2-4-16(13)21-11-14/h1-8,14,19H,9-11H2,(H,18,20)
InChIKeySKMOPIMHTPNQCH-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275381
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46494494
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46674166
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
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-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
(3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97082832

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 115577899) is N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCc1ccc(O)cc1)C1COc2ccccc2C1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SKMOPIMHTPNQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-15-7-5-12(6-8-15)10-18-17(20)14-9-13-3-1-2-4-16(13)21-11-14/h1-8,14,19H,9-11H2,(H,18,20).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 115577899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).