N-[3-amino-2-(cyclobutylamino)phenyl]acetamide

C12H17N3O — CID 154065884

IUPACN-[3-amino-2-(cyclobutylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N)c1NC1CCC1
InChIInChI=1S/C12H17N3O/c1-8(16)14-11-7-3-6-10(13)12(11)15-9-4-2-5-9/h3,6-7,9,15H,2,4-5,13H2,1H3,(H,14,16)
InChIKeyIPTLCFPXYJJIDQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.19
Rot. Bonds3

About N-[3-amino-2-(cyclobutylamino)phenyl]acetamide

N-[3-amino-2-(cyclobutylamino)phenyl]acetamide (PubChem CID 154065884) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[3-amino-2-(cyclobutylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-amino-2-(cyclobutylamino)phenyl]acetamide
PubChem CID154065884
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[3-amino-2-(cyclobutylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N)c1NC1CCC1
InChIInChI=1S/C12H17N3O/c1-8(16)14-11-7-3-6-10(13)12(11)15-9-4-2-5-9/h3,6-7,9,15H,2,4-5,13H2,1H3,(H,14,16)
InChIKeyIPTLCFPXYJJIDQ-UHFFFAOYSA-N
XLogP2.19
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
N-(2-aminophenyl)-2-cyclobutyloxypropanamide
CID 62116312
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
3-N-cyclohexylbenzene-1,2,3-triamine
CID 14942290
3-amino-2-[(3,3-dimethylcyclohexyl)amino]benzoic acid
CID 112579341
N-[2-(2-amino-6-methylphenyl)-3-methylphenyl]acetamide
CID 135260414
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
2-N-cyclopropyl-3-methylsulfonylbenzene-1,2-diamine
CID 58459167
4-(2-amino-6-methylanilino)cyclohexan-1-ol
CID 104966691
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide
CID 54979655

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-(cyclobutylamino)phenyl]acetamide?
The IUPAC name of N-[3-amino-2-(cyclobutylamino)phenyl]acetamide (CID 154065884) is N-[3-amino-2-(cyclobutylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-amino-2-(cyclobutylamino)phenyl]acetamide?
The canonical SMILES for N-[3-amino-2-(cyclobutylamino)phenyl]acetamide is CC(=O)Nc1cccc(N)c1NC1CCC1.
What is the InChIKey of N-[3-amino-2-(cyclobutylamino)phenyl]acetamide?
The InChIKey is IPTLCFPXYJJIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(16)14-11-7-3-6-10(13)12(11)15-9-4-2-5-9/h3,6-7,9,15H,2,4-5,13H2,1H3,(H,14,16).
What are the key properties of N-[3-amino-2-(cyclobutylamino)phenyl]acetamide?
N-[3-amino-2-(cyclobutylamino)phenyl]acetamide has a molecular weight of 219.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-(cyclobutylamino)phenyl]acetamide is sourced from PubChem (CID 154065884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).