(2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C15H21N3O3 — CID 25387543

IUPAC(2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC[C@H](C)NC(=O)CN1C[C@@H](C(N)=O)Oc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-3-10(2)17-14(19)9-18-8-13(15(16)20)21-12-7-5-4-6-11(12)18/h4-7,10,13H,3,8-9H2,1-2H3,(H2,16,20)(H,17,19)/t10-,13-/m0/s1
InChIKeyRZIBFVARLRSQMH-GWCFXTLKSA-N
MW291.35 g/mol
LogP0.65
Rot. Bonds5

About (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 25387543) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID25387543
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC[C@H](C)NC(=O)CN1C[C@@H](C(N)=O)Oc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-3-10(2)17-14(19)9-18-8-13(15(16)20)21-12-7-5-4-6-11(12)18/h4-7,10,13H,3,8-9H2,1-2H3,(H2,16,20)(H,17,19)/t10-,13-/m0/s1
InChIKeyRZIBFVARLRSQMH-GWCFXTLKSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 25387543) is (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC[C@H](C)NC(=O)CN1C[C@@H](C(N)=O)Oc2ccccc21.
What is the InChIKey of (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is RZIBFVARLRSQMH-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-10(2)17-14(19)9-18-8-13(15(16)20)21-12-7-5-4-6-11(12)18/h4-7,10,13H,3,8-9H2,1-2H3,(H2,16,20)(H,17,19)/t10-,13-/m0/s1.
What are the key properties of (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 25387543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).