N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide

C14H21NO2 — CID 107941740

IUPACN-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)N[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-4-9-17-10-14(16)15-12(3)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyPLDSZCUTQFJWRA-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.60
Rot. Bonds6

About N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide

N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide (PubChem CID 107941740) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide
PubChem CID107941740
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)N[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-4-9-17-10-14(16)15-12(3)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyPLDSZCUTQFJWRA-GFCCVEGCSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-propoxyacetamide
CID 107941741
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide
CID 114018739
N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
CID 107937356
2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid
CID 17267498
N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 78797053
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 4-butoxybenzoate
CID 50929534
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 95181161
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide (CID 107941740) is N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide is CCCOCC(=O)N[C@H](C)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide?
The InChIKey is PLDSZCUTQFJWRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-9-17-10-14(16)15-12(3)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,15,16)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide?
N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide has a molecular weight of 235.33 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide is sourced from PubChem (CID 107941740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).