N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C16H20N2O3 — CID 42917506

IUPACN-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)NC1CCCCC1
InChIInChI=1S/C16H20N2O3/c19-15(17-11-6-2-1-3-7-11)10-14-16(20)18-12-8-4-5-9-13(12)21-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,17,19)(H,18,20)
InChIKeyRPTDAPAIXVUTIC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.23
Rot. Bonds3

About N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 42917506) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID42917506
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)NC1CCCCC1
InChIInChI=1S/C16H20N2O3/c19-15(17-11-6-2-1-3-7-11)10-14-16(20)18-12-8-4-5-9-13(12)21-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,17,19)(H,18,20)
InChIKeyRPTDAPAIXVUTIC-UHFFFAOYSA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7481050
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide
CID 9293140
N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]cyclohexanecarbohydrazide
CID 9327309
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9159657
N-(4-methylpiperazin-1-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205856
N-(4-methylpiperazin-1-yl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205859
2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9069125
2-(oxan-3-yl)-2-[[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]acetic acid
CID 120548890
(2R)-2-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 51409579
N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
CID 9226903
N-cyclohexyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829766
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8546401

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 42917506) is N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is O=C(CC1Oc2ccccc2NC1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is RPTDAPAIXVUTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(17-11-6-2-1-3-7-11)10-14-16(20)18-12-8-4-5-9-13(12)21-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,17,19)(H,18,20).
What are the key properties of N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 42917506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).