N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide

C14H22N2O2 — CID 81387871

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H22N2O2/c1-11(16-14(17)9-6-10-15-2)12-7-4-5-8-13(12)18-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyZHJFRNIJVMWCTN-LLVKDONJSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds7

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide (PubChem CID 81387871) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
PubChem CID81387871
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H22N2O2/c1-11(16-14(17)9-6-10-15-2)12-7-4-5-8-13(12)18-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyZHJFRNIJVMWCTN-LLVKDONJSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
CID 8008912
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
N-[4-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 39958882
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide
CID 112515048
3-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 78771407
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
methyl 4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butanoate
CID 81388086
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide (CID 81387871) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide is CNCCCC(=O)N[C@H](C)c1ccccc1OC.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
The InChIKey is ZHJFRNIJVMWCTN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(16-14(17)9-6-10-15-2)12-7-4-5-8-13(12)18-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 81387871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).