2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide

C16H24ClNO3 — CID 43885641

IUPAC2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCCOC(C)C
InChIInChI=1S/C16H24ClNO3/c1-4-14(21-15-9-6-5-8-13(15)17)16(19)18-10-7-11-20-12(2)3/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3,(H,18,19)
InChIKeyIPVGAQGVXYRLQV-UHFFFAOYSA-N
MW313.82 g/mol
LogP3.43
Rot. Bonds9

About 2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide

2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 43885641) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID43885641
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCCOC(C)C
InChIInChI=1S/C16H24ClNO3/c1-4-14(21-15-9-6-5-8-13(15)17)16(19)18-10-7-11-20-12(2)3/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3,(H,18,19)
InChIKeyIPVGAQGVXYRLQV-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 53.43
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

(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
CID 28632344
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 9172862
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
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
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 99959864

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide (CID 43885641) is 2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide is CCC(Oc1ccccc1Cl)C(=O)NCCCOC(C)C.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is IPVGAQGVXYRLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-4-14(21-15-9-6-5-8-13(15)17)16(19)18-10-7-11-20-12(2)3/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 313.82 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 43885641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).