N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide

C18H28ClNO4 — CID 133245895

IUPACN-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1
InChIInChI=1S/C18H28ClNO4/c1-7-18(4,23-6)16(21)20-13-8-9-15(14(19)12-13)24-11-10-17(2,3)22-5/h8-9,12H,7,10-11H2,1-6H3,(H,20,21)
InChIKeyYVFIYMVXGXKTDH-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.29
Rot. Bonds9

About N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide

N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide (PubChem CID 133245895) has the molecular formula C18H28ClNO4 and a molecular weight of 357.88 g/mol. Its IUPAC name is N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide
PubChem CID133245895
Molecular FormulaC18H28ClNO4
Molecular Weight357.88 g/mol
Exact Mass357.17
IUPAC NameN-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1
InChIInChI=1S/C18H28ClNO4/c1-7-18(4,23-6)16(21)20-13-8-9-15(14(19)12-13)24-11-10-17(2,3)22-5/h8-9,12H,7,10-11H2,1-6H3,(H,20,21)
InChIKeyYVFIYMVXGXKTDH-UHFFFAOYSA-N
XLogP4.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133246109
(2R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methyl-2-propoxyhexanamide
CID 100742589
(2S)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727907
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100702581
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 100692486
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727920
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712148
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
CID 100729354
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide?
The IUPAC name of N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide (CID 133245895) is N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide is CCC(C)(OC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide?
The InChIKey is YVFIYMVXGXKTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO4/c1-7-18(4,23-6)16(21)20-13-8-9-15(14(19)12-13)24-11-10-17(2,3)22-5/h8-9,12H,7,10-11H2,1-6H3,(H,20,21).
What are the key properties of N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide?
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide has a molecular weight of 357.88 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 133245895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).