4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide

C14H20ClNO3 — CID 94821455

IUPAC4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
SMILESCOC[C@H](C)NC(=O)CCCOc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-11(10-18-2)16-14(17)8-5-9-19-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyKONXBIJDJDVWBV-NSHDSACASA-N
MW285.77 g/mol
LogP2.65
Rot. Bonds8

About 4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide

4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide (PubChem CID 94821455) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
PubChem CID94821455
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
SMILESCOC[C@H](C)NC(=O)CCCOc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-11(10-18-2)16-14(17)8-5-9-19-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyKONXBIJDJDVWBV-NSHDSACASA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.65
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-[4-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119223409
methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
CID 60753235
N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119588775
4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654441
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
4-(2-chlorophenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 49372898
4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 94359742
2-[3-(2-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 43353996
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 133225046
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
CID 119617753

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide (CID 94821455) is 4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide is COC[C@H](C)NC(=O)CCCOc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide?
The InChIKey is KONXBIJDJDVWBV-NSHDSACASA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-11(10-18-2)16-14(17)8-5-9-19-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide?
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide has a molecular weight of 285.77 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide is sourced from PubChem (CID 94821455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).