4-amino-3-(2-butoxyethoxy)benzamide

C13H20N2O3 — CID 63356668

IUPAC4-amino-3-(2-butoxyethoxy)benzamide
SMILESCCCCOCCOc1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H20N2O3/c1-2-3-6-17-7-8-18-12-9-10(13(15)16)4-5-11(12)14/h4-5,9H,2-3,6-8,14H2,1H3,(H2,15,16)
InChIKeyWZNZMTHIFCCPIF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.56
Rot. Bonds8

About 4-amino-3-(2-butoxyethoxy)benzamide

4-amino-3-(2-butoxyethoxy)benzamide (PubChem CID 63356668) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-amino-3-(2-butoxyethoxy)benzamide.

Molecular Properties

Compound Name4-amino-3-(2-butoxyethoxy)benzamide
PubChem CID63356668
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-amino-3-(2-butoxyethoxy)benzamide
SMILESCCCCOCCOc1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H20N2O3/c1-2-3-6-17-7-8-18-12-9-10(13(15)16)4-5-11(12)14/h4-5,9H,2-3,6-8,14H2,1H3,(H2,15,16)
InChIKeyWZNZMTHIFCCPIF-UHFFFAOYSA-N
XLogP1.56
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-(2-butoxyethoxy)benzoate
CID 61483522
4-amino-3-propoxybenzamide
CID 63356295
3-amino-4-butoxybenzamide
CID 43448596
3-amino-4-(2-propoxyethoxy)benzamide
CID 63684317
3-amino-4-(2-butoxyethoxy)benzoic acid
CID 54888103
4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843
2-butoxyethyl 4-amino-3-methoxybenzoate
CID 104783923
2-amino-5-(2-butoxyethoxy)benzamide
CID 61307409
3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-butoxy-3-methoxybenzamide
CID 47102628

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-butoxyethoxy)benzamide?
The IUPAC name of 4-amino-3-(2-butoxyethoxy)benzamide (CID 63356668) is 4-amino-3-(2-butoxyethoxy)benzamide.
What is the SMILES notation for 4-amino-3-(2-butoxyethoxy)benzamide?
The canonical SMILES for 4-amino-3-(2-butoxyethoxy)benzamide is CCCCOCCOc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2-butoxyethoxy)benzamide?
The InChIKey is WZNZMTHIFCCPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-3-6-17-7-8-18-12-9-10(13(15)16)4-5-11(12)14/h4-5,9H,2-3,6-8,14H2,1H3,(H2,15,16).
What are the key properties of 4-amino-3-(2-butoxyethoxy)benzamide?
4-amino-3-(2-butoxyethoxy)benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-butoxyethoxy)benzamide is sourced from PubChem (CID 63356668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).