N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide

C23H24N2O2 — CID 121458579

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide
SMILESC[C@@H](NC(=O)C1CN(c2ccccc2)CCO1)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O2/c1-17(20-13-7-9-18-8-5-6-12-21(18)20)24-23(26)22-16-25(14-15-27-22)19-10-3-2-4-11-19/h2-13,17,22H,14-16H2,1H3,(H,24,26)/t17-,22?/m1/s1
InChIKeyJYPMKXONFLAUNI-PLEWWHCXSA-N
MW360.46 g/mol
LogP3.92
Rot. Bonds4

About N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide

N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide (PubChem CID 121458579) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide
PubChem CID121458579
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide
SMILESC[C@@H](NC(=O)C1CN(c2ccccc2)CCO1)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O2/c1-17(20-13-7-9-18-8-5-6-12-21(18)20)24-23(26)22-16-25(14-15-27-22)19-10-3-2-4-11-19/h2-13,17,22H,14-16H2,1H3,(H,24,26)/t17-,22?/m1/s1
InChIKeyJYPMKXONFLAUNI-PLEWWHCXSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467355
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide
CID 77464215
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 123882977
1-(2,2-dimethylpropanoyl)-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 46809447
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
1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 15920376
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
4-(3-hydroxy-4-methylphenyl)-N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467321

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide (CID 121458579) is N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide is C[C@@H](NC(=O)C1CN(c2ccccc2)CCO1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide?
The InChIKey is JYPMKXONFLAUNI-PLEWWHCXSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17(20-13-7-9-18-8-5-6-12-21(18)20)24-23(26)22-16-25(14-15-27-22)19-10-3-2-4-11-19/h2-13,17,22H,14-16H2,1H3,(H,24,26)/t17-,22?/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide?
N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 121458579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).