(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide

C15H22ClNO3 — CID 92647207

IUPAC(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3/c1-11(2)19-9-5-8-17-15(18)12(3)20-14-7-4-6-13(16)10-14/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyLUUAPKWUSRGPQS-LBPRGKRZSA-N
MW299.80 g/mol
LogP3.04
Rot. Bonds8

About (2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide

(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 92647207) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID92647207
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3/c1-11(2)19-9-5-8-17-15(18)12(3)20-14-7-4-6-13(16)10-14/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyLUUAPKWUSRGPQS-LBPRGKRZSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 43876417
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide
CID 92677886
2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165269
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 43003068
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide (CID 92647207) is (2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)[C@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is LUUAPKWUSRGPQS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-11(2)19-9-5-8-17-15(18)12(3)20-14-7-4-6-13(16)10-14/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 299.80 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 92647207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).