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

C21H20N2O2 — CID 77467348

IUPACN-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide
SMILESCC(NC(=O)C1COc2ccccc2N1)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O2/c1-14(16-10-6-8-15-7-2-3-9-17(15)16)22-21(24)19-13-25-20-12-5-4-11-18(20)23-19/h2-12,14,19,23H,13H2,1H3,(H,22,24)
InChIKeyXHPHQQBJBPQIMJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.89
Rot. Bonds3

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

N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide (PubChem CID 77467348) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide
PubChem CID77467348
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide
SMILESCC(NC(=O)C1COc2ccccc2N1)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O2/c1-14(16-10-6-8-15-7-2-3-9-17(15)16)22-21(24)19-13-25-20-12-5-4-11-18(20)23-19/h2-12,14,19,23H,13H2,1H3,(H,22,24)
InChIKeyXHPHQQBJBPQIMJ-UHFFFAOYSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 123882977
3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 102779169
4-amino-N-(1-naphthalen-1-ylethyl)oxolane-3-carboxamide
CID 66238289
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 42907495
3-amino-N-(1-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686987
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620
(3S)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 95426412
N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467355
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-(cyclopropanecarbonylamino)-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 167794265

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide (CID 77467348) is N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide is CC(NC(=O)C1COc2ccccc2N1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide?
The InChIKey is XHPHQQBJBPQIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14(16-10-6-8-15-7-2-3-9-17(15)16)22-21(24)19-13-25-20-12-5-4-11-18(20)23-19/h2-12,14,19,23H,13H2,1H3,(H,22,24).
What are the key properties of N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide?
N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide is sourced from PubChem (CID 77467348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).