N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide

C16H24N2O5 — CID 9338696

IUPACN-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCCCCC[C@@H](C)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O5/c1-4-5-6-7-12(2)17-16(19)11-23-15-9-8-13(22-3)10-14(15)18(20)21/h8-10,12H,4-7,11H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyDHBMDMBMXHUAPQ-GFCCVEGCSA-N
MW324.38 g/mol
LogP3.07
Rot. Bonds10

About N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide

N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide (PubChem CID 9338696) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide
PubChem CID9338696
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC NameN-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCCCCC[C@@H](C)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O5/c1-4-5-6-7-12(2)17-16(19)11-23-15-9-8-13(22-3)10-14(15)18(20)21/h8-10,12H,4-7,11H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyDHBMDMBMXHUAPQ-GFCCVEGCSA-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

N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 51216237
2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338576
N-heptan-2-yl-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 60586269
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2565835
methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9338767
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8640953
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338347
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide
CID 61490000
2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 8566643

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide (CID 9338696) is N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide is CCCCC[C@@H](C)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
The InChIKey is DHBMDMBMXHUAPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-4-5-6-7-12(2)17-16(19)11-23-15-9-8-13(22-3)10-14(15)18(20)21/h8-10,12H,4-7,11H2,1-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-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-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide is sourced from PubChem (CID 9338696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).