N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide

C14H17N3O5 — CID 27015551

IUPACN-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H17N3O5/c1-16(8-13(18)15-10-2-3-10)14(19)9-22-12-6-4-11(5-7-12)17(20)21/h4-7,10H,2-3,8-9H2,1H3,(H,15,18)
InChIKeyHZOQMDLESBHRBY-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.71
Rot. Bonds7

About N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide

N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide (PubChem CID 27015551) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
PubChem CID27015551
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC NameN-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H17N3O5/c1-16(8-13(18)15-10-2-3-10)14(19)9-22-12-6-4-11(5-7-12)17(20)21/h4-7,10H,2-3,8-9H2,1H3,(H,15,18)
InChIKeyHZOQMDLESBHRBY-UHFFFAOYSA-N
XLogP0.71
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.71
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-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 43389141
N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 9012039
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 9457877
N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide
CID 115880765
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-nitrophenoxy)acetamide
CID 9012067
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 43572560
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 9416010
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-nitrophenoxy)acetamide
CID 7079987
N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586850
N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 134004130
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770110

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide (CID 27015551) is N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide is CN(CC(=O)NC1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide?
The InChIKey is HZOQMDLESBHRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-16(8-13(18)15-10-2-3-10)14(19)9-22-12-6-4-11(5-7-12)17(20)21/h4-7,10H,2-3,8-9H2,1H3,(H,15,18).
What are the key properties of N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide has a molecular weight of 307.31 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 27015551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).