(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide

C14H20ClNO2 — CID 94087042

IUPAC(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-4-12(5-2)16-14(17)10(3)18-13-8-6-7-11(15)9-13/h6-10,12H,4-5H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyZFCOIGPLSNKACK-JTQLQIEISA-N
MW269.77 g/mol
LogP3.41
Rot. Bonds6

About (2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide

(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide (PubChem CID 94087042) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
PubChem CID94087042
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-4-12(5-2)16-14(17)10(3)18-13-8-6-7-11(15)9-13/h6-10,12H,4-5H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyZFCOIGPLSNKACK-JTQLQIEISA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
CID 40537766
2-(3-chlorophenoxy)-N-heptan-2-ylpropanamide
CID 4097223
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride
CID 119586806
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
N-(1-bromo-3-methylbutan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 114316058
2-[[2-(3-chlorophenoxy)propanoylamino]methyl]butanoic acid
CID 65220537
N-(4-bromo-1-methoxybutan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 106156353
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 38016906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide (CID 94087042) is (2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)[C@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide?
The InChIKey is ZFCOIGPLSNKACK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-12(5-2)16-14(17)10(3)18-13-8-6-7-11(15)9-13/h6-10,12H,4-5H2,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide?
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide has a molecular weight of 269.77 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 94087042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).