(2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C15H21N3O3 — CID 8850747

IUPAC(2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCCN(CC)C(=O)CN1C[C@H](C(N)=O)Oc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-3-17(4-2)14(19)10-18-9-13(15(16)20)21-12-8-6-5-7-11(12)18/h5-8,13H,3-4,9-10H2,1-2H3,(H2,16,20)/t13-/m1/s1
InChIKeyDROPMWLWOGECQH-CYBMUJFWSA-N
MW291.35 g/mol
LogP0.61
Rot. Bonds5

About (2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 8850747) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID8850747
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCCN(CC)C(=O)CN1C[C@H](C(N)=O)Oc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-3-17(4-2)14(19)10-18-9-13(15(16)20)21-12-8-6-5-7-11(12)18/h5-8,13H,3-4,9-10H2,1-2H3,(H2,16,20)/t13-/m1/s1
InChIKeyDROPMWLWOGECQH-CYBMUJFWSA-N
XLogP0.61
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25387543
(2S)-4-prop-2-enyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8834015
4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 164622927
4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 173113216
4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42914286
N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352636
methyl (2S)-4-[2-[di(propan-2-yl)amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 95247536
ethyl (2S)-4-benzyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 162859057
4-propan-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 62999290
4-[2-(ethylamino)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 60703361
N-ethyl-N-(2-methylphenyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 43036486
4-[(2S,3S)-2-amino-3-methylpentanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 61254036

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 8850747) is (2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CCN(CC)C(=O)CN1C[C@H](C(N)=O)Oc2ccccc21.
What is the InChIKey of (2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is DROPMWLWOGECQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-17(4-2)14(19)10-18-9-13(15(16)20)21-12-8-6-5-7-11(12)18/h5-8,13H,3-4,9-10H2,1-2H3,(H2,16,20)/t13-/m1/s1.
What are the key properties of (2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 8850747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).