2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide

C18H25ClN2O4 — CID 119138060

IUPAC2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCCC(C)(C)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H25ClN2O4/c1-18(2)5-4-7-21(8-6-18)17(23)12-9-13(19)16(14(10-12)24-3)25-11-15(20)22/h9-10H,4-8,11H2,1-3H3,(H2,20,22)
InChIKeyUKAIVFTWADNJLP-UHFFFAOYSA-N
MW368.86 g/mol
LogP2.87
Rot. Bonds5

About 2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide

2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide (PubChem CID 119138060) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
PubChem CID119138060
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Name2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCCC(C)(C)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H25ClN2O4/c1-18(2)5-4-7-21(8-6-18)17(23)12-9-13(19)16(14(10-12)24-3)25-11-15(20)22/h9-10H,4-8,11H2,1-3H3,(H2,20,22)
InChIKeyUKAIVFTWADNJLP-UHFFFAOYSA-N
XLogP2.87
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256331
2-[2-chloro-6-methoxy-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55494400
2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide
CID 119125753
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-methylpiperidine-3-carboxamide
CID 119128285
(3R,4R)-1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120980126
2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide
CID 34822497
2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride
CID 119651087
2-[2,6-dimethoxy-4-(3-methylpiperidine-1-carbonyl)phenoxy]acetamide
CID 51265105
2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid
CID 119247780
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide
CID 24637988
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperidin-1-ylmethanone
CID 112759339
N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692332

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide (CID 119138060) is 2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide is COc1cc(C(=O)N2CCCC(C)(C)CC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide?
The InChIKey is UKAIVFTWADNJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-18(2)5-4-7-21(8-6-18)17(23)12-9-13(19)16(14(10-12)24-3)25-11-15(20)22/h9-10H,4-8,11H2,1-3H3,(H2,20,22).
What are the key properties of 2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide has a molecular weight of 368.86 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 119138060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).