N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide

C14H19N3O4 — CID 63670428

IUPACN-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide
SMILESCCCOc1cc(NCC(=O)NC2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-2-7-21-13-8-11(5-6-12(13)17(19)20)15-9-14(18)16-10-3-4-10/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyQEGVRPMRRNVZII-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.07
Rot. Bonds8

About N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide

N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide (PubChem CID 63670428) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide
PubChem CID63670428
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide
SMILESCCCOc1cc(NCC(=O)NC2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-2-7-21-13-8-11(5-6-12(13)17(19)20)15-9-14(18)16-10-3-4-10/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyQEGVRPMRRNVZII-UHFFFAOYSA-N
XLogP2.07
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
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

2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide
CID 106749007
N-(1-cyclopropylethyl)-4-nitro-3-propoxyaniline
CID 63670592
4-nitro-N-pentyl-3-propoxyaniline
CID 63669901
2-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetic acid
CID 63672080
2-methyl-1-(4-nitro-3-propoxyanilino)butan-2-ol
CID 65109365
N-(4-nitro-3-propoxyphenyl)azetidin-3-amine
CID 66186786
N-[(1-methylpyrrolidin-3-yl)methyl]-4-nitro-3-propoxyaniline
CID 63669921
1-N-(4-nitro-3-propoxyphenyl)propane-1,2-diamine
CID 63731293
N-[(4-nitro-3-propoxyphenyl)methyl]cyclopropanamine
CID 55040963
N-(2-methylcyclohexyl)-4-nitro-3-propoxyaniline
CID 63669905
N-(1-methylcyclopropyl)-4-nitro-3-propoxyaniline
CID 113485591
4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline
CID 79360119

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide (CID 63670428) is N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide is CCCOc1cc(NCC(=O)NC2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide?
The InChIKey is QEGVRPMRRNVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-7-21-13-8-11(5-6-12(13)17(19)20)15-9-14(18)16-10-3-4-10/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide?
N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide has a molecular weight of 293.32 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide is sourced from PubChem (CID 63670428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).