2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide

C13H17N3O3 — CID 79853601

IUPAC2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)CC2(N)CCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-9-7-10(3-4-11(9)16(18)19)15-12(17)8-13(14)5-2-6-13/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17)
InChIKeyRDDAMKWNVANLRT-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.11
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide

2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide (PubChem CID 79853601) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide
PubChem CID79853601
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)CC2(N)CCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-9-7-10(3-4-11(9)16(18)19)15-12(17)8-13(14)5-2-6-13/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17)
InChIKeyRDDAMKWNVANLRT-UHFFFAOYSA-N
XLogP2.11
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.11
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

2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide
CID 79853814
2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864692
2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 79851993
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 79854745
2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377322
2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79257620
2-methyl-N-(3-methyl-4-nitrophenyl)oxirane-2-carboxamide
CID 71420003
3-amino-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide
CID 62669120
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66428523
1-(aminomethyl)-N-(4-methyl-3-nitrophenyl)cyclobutane-1-carboxamide
CID 115447360
2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 79851270

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide (CID 79853601) is 2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide is Cc1cc(NC(=O)CC2(N)CCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide?
The InChIKey is RDDAMKWNVANLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-7-10(3-4-11(9)16(18)19)15-12(17)8-13(14)5-2-6-13/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17).
What are the key properties of 2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide?
2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 79853601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).