N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide

C14H20ClNO2 — CID 113272106

IUPACN-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide
SMILESCOCC(Cl)CNC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C14H20ClNO2/c1-10-4-5-11(2)12(6-10)7-14(17)16-8-13(15)9-18-3/h4-6,13H,7-9H2,1-3H3,(H,16,17)
InChIKeyBXNAQFHXQCZICW-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.22
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide

N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide (PubChem CID 113272106) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide
PubChem CID113272106
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide
SMILESCOCC(Cl)CNC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C14H20ClNO2/c1-10-4-5-11(2)12(6-10)7-14(17)16-8-13(15)9-18-3/h4-6,13H,7-9H2,1-3H3,(H,16,17)
InChIKeyBXNAQFHXQCZICW-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.22
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

2-chloro-N-[(2,5-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 65023585
N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide
CID 114298908
2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62539659
2-(3-chloro-4-methoxybutyl)-1,4-dimethylbenzene
CID 62318746
2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid
CID 79468988
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 63756094
2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699527
N-[(E)-4-chlorobut-2-enyl]-2-(2,5-dimethylphenyl)acetamide
CID 81430040
(2S)-4-[[2-(2,5-dimethylphenyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006651
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide (CID 113272106) is N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide is COCC(Cl)CNC(=O)Cc1cc(C)ccc1C.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is BXNAQFHXQCZICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-4-5-11(2)12(6-10)7-14(17)16-8-13(15)9-18-3/h4-6,13H,7-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide?
N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113272106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).