N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide

C22H23NO2 — CID 92646642

IUPACN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N[C@H](C)c1cc(C)ccc1C
InChIInChI=1S/C22H23NO2/c1-14-9-10-15(2)19(11-14)16(3)23-22(24)20-12-17-7-5-6-8-18(17)13-21(20)25-4/h5-13,16H,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyUKYCSHGYYYQYML-MRXNPFEDSA-N
MW333.43 g/mol
LogP4.96
Rot. Bonds4

About N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide

N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 92646642) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID92646642
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N[C@H](C)c1cc(C)ccc1C
InChIInChI=1S/C22H23NO2/c1-14-9-10-15(2)19(11-14)16(3)23-22(24)20-12-17-7-5-6-8-18(17)13-21(20)25-4/h5-13,16H,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyUKYCSHGYYYQYML-MRXNPFEDSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[1-(furan-2-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18116872
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide (CID 92646642) is N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N[C@H](C)c1cc(C)ccc1C.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is UKYCSHGYYYQYML-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23NO2/c1-14-9-10-15(2)19(11-14)16(3)23-22(24)20-12-17-7-5-6-8-18(17)13-21(20)25-4/h5-13,16H,1-4H3,(H,23,24)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide?
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 92646642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).