2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide

C22H25N3O5 — CID 9148068

IUPAC2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C22H25N3O5/c1-3-29-18-8-5-4-7-16(18)22(28)23-12-6-9-20(26)24-15-10-11-19-17(13-15)25-21(27)14(2)30-19/h4-5,7-8,10-11,13-14H,3,6,9,12H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)/t14-/m1/s1
InChIKeyGFDLINSYZNURCB-CQSZACIVSA-N
MW411.46 g/mol
LogP2.95
Rot. Bonds8

About 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide

2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide (PubChem CID 9148068) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide
PubChem CID9148068
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C22H25N3O5/c1-3-29-18-8-5-4-7-16(18)22(28)23-12-6-9-20(26)24-15-10-11-19-17(13-15)25-21(27)14(2)30-19/h4-5,7-8,10-11,13-14H,3,6,9,12H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)/t14-/m1/s1
InChIKeyGFDLINSYZNURCB-CQSZACIVSA-N
XLogP2.95
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide with MolForge

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Related Compounds

2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 35574920
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propoxybenzamide
CID 35574928
2-(difluoromethoxy)-N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 9146093
6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide
CID 18164565
N-[3-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056263
N-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 8500146
N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 9078863
4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
2-(2-methoxyphenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145221
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9145489
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide
CID 51592779

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide (CID 9148068) is 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2.
What is the InChIKey of 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide?
The InChIKey is GFDLINSYZNURCB-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-3-29-18-8-5-4-7-16(18)22(28)23-12-6-9-20(26)24-15-10-11-19-17(13-15)25-21(27)14(2)30-19/h4-5,7-8,10-11,13-14H,3,6,9,12H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)/t14-/m1/s1.
What are the key properties of 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide?
2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 9148068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).