N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide

C19H22N2O5 — CID 7473394

IUPACN-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide
SMILESCOc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N2O5/c1-14(2)20(12-15-7-5-4-6-8-15)19(22)13-26-18-10-9-16(25-3)11-17(18)21(23)24/h4-11,14H,12-13H2,1-3H3
InChIKeyNHGUTNWBTLKBDD-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.42
Rot. Bonds8

About N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide

N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide (PubChem CID 7473394) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide
PubChem CID7473394
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide
SMILESCOc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N2O5/c1-14(2)20(12-15-7-5-4-6-8-15)19(22)13-26-18-10-9-16(25-3)11-17(18)21(23)24/h4-11,14H,12-13H2,1-3H3
InChIKeyNHGUTNWBTLKBDD-UHFFFAOYSA-N
XLogP3.42
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
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

(2S)-N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide
CID 7695065
N-benzyl-4-ethoxy-3-nitro-N-propan-2-ylbenzamide
CID 30099872
N-benzyl-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 39117300
2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9338767
2-[benzyl-[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 132668728
2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765507
2-[benzyl-[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195398
(2R)-2-[benzyl-[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100651517
(2S)-2-[benzyl-[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100651540
N-benzyl-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide
CID 48845505
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 8013484

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide (CID 7473394) is N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide is COc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide?
The InChIKey is NHGUTNWBTLKBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-14(2)20(12-15-7-5-4-6-8-15)19(22)13-26-18-10-9-16(25-3)11-17(18)21(23)24/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide?
N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide has a molecular weight of 358.39 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 7473394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).