N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C27H24N2O2 — CID 77467355

IUPACN-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(NC(=O)C1CN(c2ccccc2)c2ccccc2O1)c1cccc2ccccc12
InChIInChI=1S/C27H24N2O2/c1-19(22-15-9-11-20-10-5-6-14-23(20)22)28-27(30)26-18-29(21-12-3-2-4-13-21)24-16-7-8-17-25(24)31-26/h2-17,19,26H,18H2,1H3,(H,28,30)
InChIKeyUHULXXSTFRDXGB-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.62
Rot. Bonds4

About N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 77467355) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID77467355
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(NC(=O)C1CN(c2ccccc2)c2ccccc2O1)c1cccc2ccccc12
InChIInChI=1S/C27H24N2O2/c1-19(22-15-9-11-20-10-5-6-14-23(20)22)28-27(30)26-18-29(21-12-3-2-4-13-21)24-16-7-8-17-25(24)31-26/h2-17,19,26H,18H2,1H3,(H,28,30)
InChIKeyUHULXXSTFRDXGB-UHFFFAOYSA-N
XLogP5.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-4-methylphenyl)-N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467321
N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 123882977
N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide
CID 121458579
N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]benzamide
CID 77489021
2-[4-[2-[2-(1-naphthalen-1-ylethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]phenyl]acetic acid
CID 77488871
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
(2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26811005
(1R)-N-[[4-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-naphthalen-1-ylethanamine
CID 66551320
methyl 3-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]benzoate
CID 66550183
N-[1-(3-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467345
(2S)-4-ethylsulfonyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125060089
4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 24515308

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 77467355) is N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(NC(=O)C1CN(c2ccccc2)c2ccccc2O1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is UHULXXSTFRDXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-19(22-15-9-11-20-10-5-6-14-23(20)22)28-27(30)26-18-29(21-12-3-2-4-13-21)24-16-7-8-17-25(24)31-26/h2-17,19,26H,18H2,1H3,(H,28,30).
What are the key properties of N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 77467355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).