N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C21H22N2O4 — CID 18198390

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)COc3ccccc32)C2CC2)cc1
InChIInChI=1S/C21H22N2O4/c1-26-17-10-6-15(7-11-17)12-22(16-8-9-16)20(24)13-23-18-4-2-3-5-19(18)27-14-21(23)25/h2-7,10-11,16H,8-9,12-14H2,1H3
InChIKeyBPPRMGYPPQKBSG-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.61
Rot. Bonds6

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 18198390) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID18198390
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)COc3ccccc32)C2CC2)cc1
InChIInChI=1S/C21H22N2O4/c1-26-17-10-6-15(7-11-17)12-22(16-8-9-16)20(24)13-23-18-4-2-3-5-19(18)27-14-21(23)25/h2-7,10-11,16H,8-9,12-14H2,1H3
InChIKeyBPPRMGYPPQKBSG-UHFFFAOYSA-N
XLogP2.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18200595
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 653720
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 39968246
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707
N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 55398366
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 33081787
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18164964
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 72847131
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(3-oxo-1,4-benzoxazin-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 91425981
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 47094416

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 18198390) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1ccc(CN(C(=O)CN2C(=O)COc3ccccc32)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is BPPRMGYPPQKBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-17-10-6-15(7-11-17)12-22(16-8-9-16)20(24)13-23-18-4-2-3-5-19(18)27-14-21(23)25/h2-7,10-11,16H,8-9,12-14H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 18198390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).