N-(3-aminophenyl)-2-(dibutylamino)acetamide

C16H27N3O — CID 28982406

IUPACN-(3-aminophenyl)-2-(dibutylamino)acetamide
SMILESCCCCN(CCCC)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H27N3O/c1-3-5-10-19(11-6-4-2)13-16(20)18-15-9-7-8-14(17)12-15/h7-9,12H,3-6,10-11,13,17H2,1-2H3,(H,18,20)
InChIKeyKFIHQAZRDUTCFS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.11
Rot. Bonds9

About N-(3-aminophenyl)-2-(dibutylamino)acetamide

N-(3-aminophenyl)-2-(dibutylamino)acetamide (PubChem CID 28982406) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(dibutylamino)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(dibutylamino)acetamide
PubChem CID28982406
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(3-aminophenyl)-2-(dibutylamino)acetamide
SMILESCCCCN(CCCC)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H27N3O/c1-3-5-10-19(11-6-4-2)13-16(20)18-15-9-7-8-14(17)12-15/h7-9,12H,3-6,10-11,13,17H2,1-2H3,(H,18,20)
InChIKeyKFIHQAZRDUTCFS-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982408
N-(3-aminophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384491
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(3-fluorophenyl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 111120327
2-[butyl-[2-oxo-2-(3-phenoxyanilino)ethyl]amino]acetamide
CID 60508723
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
N-(3-aminophenyl)-2-propylsulfonylacetamide
CID 43444789
N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81052724
N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide
CID 82224695

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(dibutylamino)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(dibutylamino)acetamide (CID 28982406) is N-(3-aminophenyl)-2-(dibutylamino)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(dibutylamino)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(dibutylamino)acetamide is CCCCN(CCCC)CC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(dibutylamino)acetamide?
The InChIKey is KFIHQAZRDUTCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-5-10-19(11-6-4-2)13-16(20)18-15-9-7-8-14(17)12-15/h7-9,12H,3-6,10-11,13,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)-2-(dibutylamino)acetamide?
N-(3-aminophenyl)-2-(dibutylamino)acetamide has a molecular weight of 277.41 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(dibutylamino)acetamide is sourced from PubChem (CID 28982406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).