N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide

C13H18ClNO3 — CID 47306002

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-8(2)18-12-6-5-10(7-11(12)14)15-13(16)9(3)17-4/h5-9H,1-4H3,(H,15,16)
InChIKeyXKNWQXFRKZYBKH-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.10
Rot. Bonds5

About N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide

N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide (PubChem CID 47306002) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
PubChem CID47306002
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-8(2)18-12-6-5-10(7-11(12)14)15-13(16)9(3)17-4/h5-9H,1-4H3,(H,15,16)
InChIKeyXKNWQXFRKZYBKH-UHFFFAOYSA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid
CID 67926622
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide (CID 47306002) is N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide is COC(C)C(=O)Nc1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide?
The InChIKey is XKNWQXFRKZYBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8(2)18-12-6-5-10(7-11(12)14)15-13(16)9(3)17-4/h5-9H,1-4H3,(H,15,16).
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide?
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide has a molecular weight of 271.74 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide is sourced from PubChem (CID 47306002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).