4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide

C15H22ClNO2 — CID 63307817

IUPAC4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)CCCCl)c1
InChIInChI=1S/C15H22ClNO2/c1-11(2)19-14-7-4-6-13(10-14)12(3)17-15(18)8-5-9-16/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,17,18)
InChIKeyMZHINYQETMHKKA-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.67
Rot. Bonds7

About 4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide

4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide (PubChem CID 63307817) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
PubChem CID63307817
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)CCCCl)c1
InChIInChI=1S/C15H22ClNO2/c1-11(2)19-14-7-4-6-13(10-14)12(3)17-15(18)8-5-9-16/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,17,18)
InChIKeyMZHINYQETMHKKA-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 60852899
N-[1-(3-bromophenyl)ethyl]-4-chlorobutanamide
CID 63307697
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
CID 46469859
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 119745540
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 55713603
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478901
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide
CID 47210467
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide?
The IUPAC name of 4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide (CID 63307817) is 4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide is CC(C)Oc1cccc(C(C)NC(=O)CCCCl)c1.
What is the InChIKey of 4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide?
The InChIKey is MZHINYQETMHKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)19-14-7-4-6-13(10-14)12(3)17-15(18)8-5-9-16/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide?
4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide has a molecular weight of 283.80 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide is sourced from PubChem (CID 63307817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).