N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide

C16H24N2O5 — CID 51216237

IUPACN-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCCCCCC(C)NC(=O)COc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C16H24N2O5/c1-4-5-6-7-12(2)17-16(19)11-23-15-10-13(18(20)21)8-9-14(15)22-3/h8-10,12H,4-7,11H2,1-3H3,(H,17,19)
InChIKeyFHAJEBTZDQFNAV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.07
Rot. Bonds10

About N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide

N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide (PubChem CID 51216237) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
PubChem CID51216237
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC NameN-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCCCCCC(C)NC(=O)COc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C16H24N2O5/c1-4-5-6-7-12(2)17-16(19)11-23-15-10-13(18(20)21)8-9-14(15)22-3/h8-10,12H,4-7,11H2,1-3H3,(H,17,19)
InChIKeyFHAJEBTZDQFNAV-UHFFFAOYSA-N
XLogP3.07
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 8566643
N-heptan-2-yl-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 60586269
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338696
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597
2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide
CID 51184403
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
N-heptan-2-yl-2-methoxy-5-nitroaniline
CID 43717718
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

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide?
The IUPAC name of N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide (CID 51216237) is N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide.
What is the SMILES notation for N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide?
The canonical SMILES for N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide is CCCCCC(C)NC(=O)COc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide?
The InChIKey is FHAJEBTZDQFNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-4-5-6-7-12(2)17-16(19)11-23-15-10-13(18(20)21)8-9-14(15)22-3/h8-10,12H,4-7,11H2,1-3H3,(H,17,19).
What are the key properties of N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide?
N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide is sourced from PubChem (CID 51216237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).