N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H17NO3 — CID 64795048

IUPACN-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)C1COc2ccccc2C1
InChIInChI=1S/C17H17NO3/c19-10-12-5-7-15(8-6-12)18-17(20)14-9-13-3-1-2-4-16(13)21-11-14/h1-8,14,19H,9-11H2,(H,18,20)
InChIKeyNURDAGQVLMMDQE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.37
Rot. Bonds3

About N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 64795048) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID64795048
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)C1COc2ccccc2C1
InChIInChI=1S/C17H17NO3/c19-10-12-5-7-15(8-6-12)18-17(20)14-9-13-3-1-2-4-16(13)21-11-14/h1-8,14,19H,9-11H2,(H,18,20)
InChIKeyNURDAGQVLMMDQE-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 25413455
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119441088
N-[4-(propan-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041063
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 64795048) is N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(CO)cc1)C1COc2ccccc2C1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NURDAGQVLMMDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-10-12-5-7-15(8-6-12)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-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 64795048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).