2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide

C17H26N2O5 — CID 8566643

IUPAC2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)CCCC(C)C
InChIInChI=1S/C17H26N2O5/c1-12(2)6-5-7-13(3)18-17(20)11-24-16-10-14(19(21)22)8-9-15(16)23-4/h8-10,12-13H,5-7,11H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyGXFQEWUHSFBOGF-ZDUSSCGKSA-N
MW338.40 g/mol
LogP3.31
Rot. Bonds10

About 2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide

2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide (PubChem CID 8566643) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
PubChem CID8566643
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)CCCC(C)C
InChIInChI=1S/C17H26N2O5/c1-12(2)6-5-7-13(3)18-17(20)11-24-16-10-14(19(21)22)8-9-15(16)23-4/h8-10,12-13H,5-7,11H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyGXFQEWUHSFBOGF-ZDUSSCGKSA-N
XLogP3.31
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 51216237
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8587936
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide
CID 51184403
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932009
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932010
N-heptan-2-yl-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 60586269
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
N-[(2-methoxy-5-nitrophenyl)methyl]-6-methylheptan-2-amine
CID 60677362
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide?
The IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide (CID 8566643) is 2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide is COc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)CCCC(C)C.
What is the InChIKey of 2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide?
The InChIKey is GXFQEWUHSFBOGF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-12(2)6-5-7-13(3)18-17(20)11-24-16-10-14(19(21)22)8-9-15(16)23-4/h8-10,12-13H,5-7,11H2,1-4H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide?
2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide has a molecular weight of 338.40 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide is sourced from PubChem (CID 8566643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).