(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide

C15H22ClNO3 — CID 28632344

IUPAC(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
SMILESCCOCCCNC(=O)[C@H](CC)Oc1ccccc1Cl
InChIInChI=1S/C15H22ClNO3/c1-3-13(15(18)17-10-7-11-19-4-2)20-14-9-6-5-8-12(14)16/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyVJIVQMDUZGXOED-ZDUSSCGKSA-N
MW299.80 g/mol
LogP3.04
Rot. Bonds9

About (2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide

(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide (PubChem CID 28632344) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
PubChem CID28632344
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
SMILESCCOCCCNC(=O)[C@H](CC)Oc1ccccc1Cl
InChIInChI=1S/C15H22ClNO3/c1-3-13(15(18)17-10-7-11-19-4-2)20-14-9-6-5-8-12(14)16/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyVJIVQMDUZGXOED-ZDUSSCGKSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
(2R)-N-(3-ethoxypropyl)-2-naphthalen-1-yloxybutanamide
CID 99955185
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
2-(2-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133239943
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
CID 92686159
2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide
CID 133239958
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide (CID 28632344) is (2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide is CCOCCCNC(=O)[C@H](CC)Oc1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide?
The InChIKey is VJIVQMDUZGXOED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-3-13(15(18)17-10-7-11-19-4-2)20-14-9-6-5-8-12(14)16/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide?
(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide has a molecular weight of 299.80 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide is sourced from PubChem (CID 28632344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).