N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C22H26N2O4 — CID 3224980

IUPACN-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc(CN(C(=O)CN2C(=O)C(C)Oc3ccccc32)C2CCCC2)o1
InChIInChI=1S/C22H26N2O4/c1-15-11-12-18(27-15)13-23(17-7-3-4-8-17)21(25)14-24-19-9-5-6-10-20(19)28-16(2)22(24)26/h5-6,9-12,16-17H,3-4,7-8,13-14H2,1-2H3
InChIKeyXPIWBZPYIVZHCO-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.67
Rot. Bonds5

About N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3224980) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3224980
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc(CN(C(=O)CN2C(=O)C(C)Oc3ccccc32)C2CCCC2)o1
InChIInChI=1S/C22H26N2O4/c1-15-11-12-18(27-15)13-23(17-7-3-4-8-17)21(25)14-24-19-9-5-6-10-20(19)28-16(2)22(24)26/h5-6,9-12,16-17H,3-4,7-8,13-14H2,1-2H3
InChIKeyXPIWBZPYIVZHCO-UHFFFAOYSA-N
XLogP3.67
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
1-(2-Furoyl)-4-(2-methoxyphenyl)piperazine
CID 595810
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
N-(2-methoxyphenyl)-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 13653738
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
CID 44585363
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983
4-(2-Oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 940934
Furan-2-carboxylic acid [2-(4-isobutyryl-piperazin-1-yl)-phenyl]-amide
CID 953772
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 2461510
2-(3-Oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155017
2-Methyl-4-(2-oxo-2-piperidin-1-yl-ethyl)-4H-benzo[1,4]oxazin-3-one
CID 3224947

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3224980) is N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is Cc1ccc(CN(C(=O)CN2C(=O)C(C)Oc3ccccc32)C2CCCC2)o1.
What is the InChIKey of N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is XPIWBZPYIVZHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-11-12-18(27-15)13-23(17-7-3-4-8-17)21(25)14-24-19-9-5-6-10-20(19)28-16(2)22(24)26/h5-6,9-12,16-17H,3-4,7-8,13-14H2,1-2H3.
What are the key properties of N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3224980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).