N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide

C12H18N4O3 — CID 120826811

IUPACN-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide
SMILESCNC(C)CNC(=O)CNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-9(13-2)7-15-12(17)8-14-10-5-3-4-6-11(10)16(18)19/h3-6,9,13-14H,7-8H2,1-2H3,(H,15,17)
InChIKeyHHTSOOWHURYMGR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.73
Rot. Bonds7

About N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide

N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide (PubChem CID 120826811) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide
PubChem CID120826811
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide
SMILESCNC(C)CNC(=O)CNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-9(13-2)7-15-12(17)8-14-10-5-3-4-6-11(10)16(18)19/h3-6,9,13-14H,7-8H2,1-2H3,(H,15,17)
InChIKeyHHTSOOWHURYMGR-UHFFFAOYSA-N
XLogP0.73
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
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-(3-hydroxybutyl)-2-(2-nitroanilino)acetamide
CID 111433406
2-(2-nitroanilino)-N-propylacetamide
CID 43398638
2-(2-nitroanilino)-N-prop-2-ynylacetamide
CID 47401063
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
CID 119507792
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide
CID 110000865
2-(2-nitroanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120810717
2-methyl-N-[2-(2-nitroanilino)ethyl]butanamide
CID 46519537
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide
CID 111520261
N-(2-methylbutyl)-2-nitroaniline
CID 43718114
2-(3-chloro-2-nitroanilino)-N-(2-methylpropyl)acetamide
CID 104836081
tert-butyl N-[(2S)-1-(2-nitroanilino)propan-2-yl]carbamate
CID 129397779

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide (CID 120826811) is N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide is CNC(C)CNC(=O)CNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide?
The InChIKey is HHTSOOWHURYMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9(13-2)7-15-12(17)8-14-10-5-3-4-6-11(10)16(18)19/h3-6,9,13-14H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide?
N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide has a molecular weight of 266.30 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide is sourced from PubChem (CID 120826811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).