N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

C16H16N2O3 — CID 114332154

IUPACN-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1cccc2c1OCCN2
InChIInChI=1S/C16H16N2O3/c19-12-6-4-11(5-7-12)10-18-16(20)13-2-1-3-14-15(13)21-9-8-17-14/h1-7,17,19H,8-10H2,(H,18,20)
InChIKeyUYFCUEMPRPYUTG-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.13
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (PubChem CID 114332154) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
PubChem CID114332154
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1cccc2c1OCCN2
InChIInChI=1S/C16H16N2O3/c19-12-6-4-11(5-7-12)10-18-16(20)13-2-1-3-14-15(13)21-9-8-17-14/h1-7,17,19H,8-10H2,(H,18,20)
InChIKeyUYFCUEMPRPYUTG-UHFFFAOYSA-N
XLogP2.13
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106276424
4-(3,4-dihydro-2H-1,4-benzoxazine-8-carbonylamino)-2-hydroxybutanoic acid
CID 107836065
N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106325257
2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 21268047
4-[[(3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]methyl]benzoic acid
CID 119353511
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106104945
2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 110483824
N-but-3-yn-2-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114417159
3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
CID 102652618
(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone
CID 116610705
N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114912509

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (CID 114332154) is N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is O=C(NCc1ccc(O)cc1)c1cccc2c1OCCN2.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The InChIKey is UYFCUEMPRPYUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-12-6-4-11(5-7-12)10-18-16(20)13-2-1-3-14-15(13)21-9-8-17-14/h1-7,17,19H,8-10H2,(H,18,20).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 114332154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).