N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide

C25H26N2O3 — CID 60618992

IUPACN-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)N(C)CCc2cccc3ccccc23)C1=O
InChIInChI=1S/C25H26N2O3/c1-18-25(29)27(22-12-5-6-13-23(22)30-18)17-15-24(28)26(2)16-14-20-10-7-9-19-8-3-4-11-21(19)20/h3-13,18H,14-17H2,1-2H3
InChIKeyWZODAPMRBUSGPL-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.04
Rot. Bonds6

About N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide

N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide (PubChem CID 60618992) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide
PubChem CID60618992
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)N(C)CCc2cccc3ccccc23)C1=O
InChIInChI=1S/C25H26N2O3/c1-18-25(29)27(22-12-5-6-13-23(22)30-18)17-15-24(28)26(2)16-14-20-10-7-9-19-8-3-4-11-21(19)20/h3-13,18H,14-17H2,1-2H3
InChIKeyWZODAPMRBUSGPL-UHFFFAOYSA-N
XLogP4.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 134063240
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 55779473
N-(2,6-diethylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17498460
N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119583899
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 18111690
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 96517602
2-methyl-5-[[methyl-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222601
N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578
2-[cyclobutyl-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]amino]acetic acid
CID 138005418
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
CID 60569346
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532014
N-[(4-chlorophenyl)methyl]-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 27660476

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide?
The IUPAC name of N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide (CID 60618992) is N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide is CC1Oc2ccccc2N(CCC(=O)N(C)CCc2cccc3ccccc23)C1=O.
What is the InChIKey of N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide?
The InChIKey is WZODAPMRBUSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-25(29)27(22-12-5-6-13-23(22)30-18)17-15-24(28)26(2)16-14-20-10-7-9-19-8-3-4-11-21(19)20/h3-13,18H,14-17H2,1-2H3.
What are the key properties of N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide?
N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide has a molecular weight of 402.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide is sourced from PubChem (CID 60618992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).