N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

C16H22N2O3 — CID 102632018

IUPACN-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESCN(C(=O)c1cccc2c1OCCN2)C1CCCCC1O
InChIInChI=1S/C16H22N2O3/c1-18(13-7-2-3-8-14(13)19)16(20)11-5-4-6-12-15(11)21-10-9-17-12/h4-6,13-14,17,19H,2-3,7-10H2,1H3
InChIKeyWGNOXMFFHWBKEZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.87
Rot. Bonds2

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

N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (PubChem CID 102632018) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
PubChem CID102632018
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESCN(C(=O)c1cccc2c1OCCN2)C1CCCCC1O
InChIInChI=1S/C16H22N2O3/c1-18(13-7-2-3-8-14(13)19)16(20)11-5-4-6-12-15(11)21-10-9-17-12/h4-6,13-14,17,19H,2-3,7-10H2,1H3
InChIKeyWGNOXMFFHWBKEZ-UHFFFAOYSA-N
XLogP1.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (CID 102632018) is N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is CN(C(=O)c1cccc2c1OCCN2)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The InChIKey is WGNOXMFFHWBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(13-7-2-3-8-14(13)19)16(20)11-5-4-6-12-15(11)21-10-9-17-12/h4-6,13-14,17,19H,2-3,7-10H2,1H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 102632018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).