2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide

C11H15N3O3 — CID 43200358

IUPAC2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
SMILESCc1ccc(C(C)NCC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-7-3-4-9(5-10(7)14(16)17)8(2)13-6-11(12)15/h3-5,8,13H,6H2,1-2H3,(H2,12,15)
InChIKeyJVCDDWQVBSNIGT-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.04
Rot. Bonds5

About 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide

2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide (PubChem CID 43200358) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
PubChem CID43200358
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
SMILESCc1ccc(C(C)NCC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-7-3-4-9(5-10(7)14(16)17)8(2)13-6-11(12)15/h3-5,8,13H,6H2,1-2H3,(H2,12,15)
InChIKeyJVCDDWQVBSNIGT-UHFFFAOYSA-N
XLogP1.04
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methyl 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetate
CID 43200789
2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl carbamate
CID 83209828
N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 103915670
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetonitrile
CID 84598222
1,1-dimethyl-3-[2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl]urea
CID 83107937
3-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]butanamide
CID 106344594
2,2-dimethyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propan-1-ol
CID 115359124
N-[1-(4-methyl-3-nitrophenyl)ethyl]butan-2-amine
CID 43200679
N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide
CID 79380363
3,4-dihydroxy-4-(4-methyl-3-nitrophenyl)butanamide
CID 171899653
4-amino-N-[1-(4-methyl-3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119344150
1-(4-methyl-3-nitrophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 75483189

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide?
The IUPAC name of 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide (CID 43200358) is 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide.
What is the SMILES notation for 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide?
The canonical SMILES for 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide is Cc1ccc(C(C)NCC(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide?
The InChIKey is JVCDDWQVBSNIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-3-4-9(5-10(7)14(16)17)8(2)13-6-11(12)15/h3-5,8,13H,6H2,1-2H3,(H2,12,15).
What are the key properties of 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide?
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide has a molecular weight of 237.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide is sourced from PubChem (CID 43200358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).