N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide

C18H23N3O4 — CID 18126600

IUPACN-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC1Oc2ccc(NC(=O)CNC(=O)C3CCCCC3)cc2NC1=O
InChIInChI=1S/C18H23N3O4/c1-11-17(23)21-14-9-13(7-8-15(14)25-11)20-16(22)10-19-18(24)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeySRZFGZKECKITGN-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.04
Rot. Bonds4

About N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 18126600) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID18126600
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC1Oc2ccc(NC(=O)CNC(=O)C3CCCCC3)cc2NC1=O
InChIInChI=1S/C18H23N3O4/c1-11-17(23)21-14-9-13(7-8-15(14)25-11)20-16(22)10-19-18(24)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeySRZFGZKECKITGN-UHFFFAOYSA-N
XLogP2.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 26002088
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide
CID 46674146
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride
CID 119273976
1-cyclopentyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 110774624
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79284913
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 60867993

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide (CID 18126600) is N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide is CC1Oc2ccc(NC(=O)CNC(=O)C3CCCCC3)cc2NC1=O.
What is the InChIKey of N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is SRZFGZKECKITGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11-17(23)21-14-9-13(7-8-15(14)25-11)20-16(22)10-19-18(24)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18126600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).