(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide

C16H23NO3 — CID 92683784

IUPAC(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-12(16(18)17(2)13-7-4-5-8-13)20-15-10-6-9-14(11-15)19-3/h6,9-13H,4-5,7-8H2,1-3H3/t12-/m0/s1
InChIKeyULGZLIFZICQQRR-LBPRGKRZSA-N
MW277.36 g/mol
LogP2.86
Rot. Bonds5

About (2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide

(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide (PubChem CID 92683784) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
PubChem CID92683784
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-12(16(18)17(2)13-7-4-5-8-13)20-15-10-6-9-14(11-15)19-3/h6,9-13H,4-5,7-8H2,1-3H3/t12-/m0/s1
InChIKeyULGZLIFZICQQRR-LBPRGKRZSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopentyl-N-methyl-2-naphthalen-2-yloxypropanamide
CID 38015885
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 78786309
4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 51142647
1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea
CID 95968582
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487209
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072
(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 95880421
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112815493
N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 51139898
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 55468763

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide (CID 92683784) is (2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide is COc1cccc(O[C@@H](C)C(=O)N(C)C2CCCC2)c1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide?
The InChIKey is ULGZLIFZICQQRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(16(18)17(2)13-7-4-5-8-13)20-15-10-6-9-14(11-15)19-3/h6,9-13H,4-5,7-8H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide?
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide has a molecular weight of 277.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide is sourced from PubChem (CID 92683784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).