N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide

C21H27NO3 — CID 75425140

IUPACN-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide
SMILESCC(c1ccc2ccccc2c1)N(C)C(=O)CCOC1CCOCC1
InChIInChI=1S/C21H27NO3/c1-16(18-8-7-17-5-3-4-6-19(17)15-18)22(2)21(23)11-14-25-20-9-12-24-13-10-20/h3-8,15-16,20H,9-14H2,1-2H3
InChIKeyDIYJTBIMCMNQGE-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.94
Rot. Bonds6

About N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide

N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide (PubChem CID 75425140) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide
PubChem CID75425140
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide
SMILESCC(c1ccc2ccccc2c1)N(C)C(=O)CCOC1CCOCC1
InChIInChI=1S/C21H27NO3/c1-16(18-8-7-17-5-3-4-6-19(17)15-18)22(2)21(23)11-14-25-20-9-12-24-13-10-20/h3-8,15-16,20H,9-14H2,1-2H3
InChIKeyDIYJTBIMCMNQGE-UHFFFAOYSA-N
XLogP3.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide
CID 63876681
N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide
CID 71974091
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide
CID 75494892
N-methyl-3-naphthalen-2-yl-N-(1-phenylethyl)propanamide
CID 60521214
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid
CID 120520092
2-[(3,5-dimethoxyphenyl)methyl-[3-(oxan-4-yloxy)propanoyl]amino]acetic acid
CID 120518117
(2S)-2-[3-(oxan-4-yloxy)propanoylamino]-2-phenylacetic acid
CID 119372344
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
CID 111112227
4-amino-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 119303600
methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate
CID 22348138

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide?
The IUPAC name of N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide (CID 75425140) is N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide.
What is the SMILES notation for N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide?
The canonical SMILES for N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide is CC(c1ccc2ccccc2c1)N(C)C(=O)CCOC1CCOCC1.
What is the InChIKey of N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide?
The InChIKey is DIYJTBIMCMNQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16(18-8-7-17-5-3-4-6-19(17)15-18)22(2)21(23)11-14-25-20-9-12-24-13-10-20/h3-8,15-16,20H,9-14H2,1-2H3.
What are the key properties of N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide?
N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide is sourced from PubChem (CID 75425140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).