N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide

C14H18N4O4 — CID 9053004

IUPACN-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1
InChIInChI=1S/C14H18N4O4/c1-17(8-13(19)15-10-6-7-10)9-14(20)16-11-4-2-3-5-12(11)18(21)22/h2-5,10H,6-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyOXPHJCBVLMOZGY-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.74
Rot. Bonds7

About N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide

N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide (PubChem CID 9053004) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
PubChem CID9053004
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1
InChIInChI=1S/C14H18N4O4/c1-17(8-13(19)15-10-6-7-10)9-14(20)16-11-4-2-3-5-12(11)18(21)22/h2-5,10H,6-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyOXPHJCBVLMOZGY-UHFFFAOYSA-N
XLogP0.74
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.74
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

N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide
CID 9053773
N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide
CID 87013578
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
2-[cyclopropyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 60833248
N-cyclohexyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 17485054
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide
CID 8965861
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 8961830
2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
CID 54917838
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 9136571
2-[ethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 61012422

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide (CID 9053004) is N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide is CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is OXPHJCBVLMOZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-17(8-13(19)15-10-6-7-10)9-14(20)16-11-4-2-3-5-12(11)18(21)22/h2-5,10H,6-9H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 306.32 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9053004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).