2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide

C21H26ClNO3 — CID 43876417

IUPAC2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
SMILESCC(C)Oc1ccc(CCCNC(=O)C(C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H26ClNO3/c1-15(2)25-19-11-9-17(10-12-19)6-5-13-23-21(24)16(3)26-20-8-4-7-18(22)14-20/h4,7-12,14-16H,5-6,13H2,1-3H3,(H,23,24)
InChIKeyPVFPJODDHNIWGL-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.64
Rot. Bonds9

About 2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide

2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide (PubChem CID 43876417) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
PubChem CID43876417
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
SMILESCC(C)Oc1ccc(CCCNC(=O)C(C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H26ClNO3/c1-15(2)25-19-11-9-17(10-12-19)6-5-13-23-21(24)16(3)26-20-8-4-7-18(22)14-20/h4,7-12,14-16H,5-6,13H2,1-3H3,(H,23,24)
InChIKeyPVFPJODDHNIWGL-UHFFFAOYSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.64
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-[3-(3-methylphenyl)propyl]propanamide
CID 92677886
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
(2R)-2-(3-chlorophenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 92684006
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2933438
2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132655449
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide (CID 43876417) is 2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide is CC(C)Oc1ccc(CCCNC(=O)C(C)Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The InChIKey is PVFPJODDHNIWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-15(2)25-19-11-9-17(10-12-19)6-5-13-23-21(24)16(3)26-20-8-4-7-18(22)14-20/h4,7-12,14-16H,5-6,13H2,1-3H3,(H,23,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide has a molecular weight of 375.90 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide is sourced from PubChem (CID 43876417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).