(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide

C14H19NO3 — CID 9172668

IUPAC(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)NC1CC1
InChIInChI=1S/C14H19NO3/c1-3-11(14(16)15-10-8-9-10)18-13-7-5-4-6-12(13)17-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyNUHGOLCTUVTMDN-NSHDSACASA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds6

About (2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide

(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide (PubChem CID 9172668) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide
PubChem CID9172668
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)NC1CC1
InChIInChI=1S/C14H19NO3/c1-3-11(14(16)15-10-8-9-10)18-13-7-5-4-6-12(13)17-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyNUHGOLCTUVTMDN-NSHDSACASA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-(2-methoxyphenoxy)butanamide
CID 9172985
(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
CID 30386318
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)-2-phenylacetamide
CID 9414957
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250067
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034114
(2R)-N-cyclopentyl-2-(2,3-dimethylphenoxy)butanamide
CID 92677449
cis-(1S,3R)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120674776
2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389291
2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385
cis-(1R,3S)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120677226
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide (CID 9172668) is (2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide is CC[C@H](Oc1ccccc1OC)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide?
The InChIKey is NUHGOLCTUVTMDN-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-11(14(16)15-10-8-9-10)18-13-7-5-4-6-12(13)17-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide?
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide has a molecular weight of 249.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 9172668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).