(2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C16H22N2O3 — CID 98869702

IUPAC(2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CO)c2ccccc2O1
InChIInChI=1S/C16H22N2O3/c1-11-9-18(14-7-2-3-8-15(14)21-11)16(20)17-13-6-4-5-12(13)10-19/h2-3,7-8,11-13,19H,4-6,9-10H2,1H3,(H,17,20)/t11-,12+,13-/m1/s1
InChIKeyWFVRRMHZZJRALX-FRRDWIJNSA-N
MW290.36 g/mol
LogP2.14
Rot. Bonds2

About (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

(2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 98869702) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID98869702
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CO)c2ccccc2O1
InChIInChI=1S/C16H22N2O3/c1-11-9-18(14-7-2-3-8-15(14)21-11)16(20)17-13-6-4-5-12(13)10-19/h2-3,7-8,11-13,19H,4-6,9-10H2,1H3,(H,17,20)/t11-,12+,13-/m1/s1
InChIKeyWFVRRMHZZJRALX-FRRDWIJNSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774219
N-(3-amino-3-oxopropyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 75424854
N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110748689
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774164
3,3,3-trifluoro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 166201745
2-chloro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880552
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-1-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]piperidine-4-carboxamide
CID 92682446
N-[2-(hydroxymethyl)cyclopentyl]-3-methylpiperidine-1-carboxamide
CID 114178614
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 82274959
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
N-[2-(hydroxymethyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
CID 106360522
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 22513020

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 98869702) is (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CO)c2ccccc2O1.
What is the InChIKey of (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is WFVRRMHZZJRALX-FRRDWIJNSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-9-18(14-7-2-3-8-15(14)21-11)16(20)17-13-6-4-5-12(13)10-19/h2-3,7-8,11-13,19H,4-6,9-10H2,1H3,(H,17,20)/t11-,12+,13-/m1/s1.
What are the key properties of (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
(2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 98869702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).