2-amino-5-(2-butoxyethoxy)benzamide

C13H20N2O3 — CID 61307409

IUPAC2-amino-5-(2-butoxyethoxy)benzamide
SMILESCCCCOCCOc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-2-3-6-17-7-8-18-10-4-5-12(14)11(9-10)13(15)16/h4-5,9H,2-3,6-8,14H2,1H3,(H2,15,16)
InChIKeyBNFMMFDGQVPCMZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.56
Rot. Bonds8

About 2-amino-5-(2-butoxyethoxy)benzamide

2-amino-5-(2-butoxyethoxy)benzamide (PubChem CID 61307409) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-5-(2-butoxyethoxy)benzamide.

Molecular Properties

Compound Name2-amino-5-(2-butoxyethoxy)benzamide
PubChem CID61307409
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-5-(2-butoxyethoxy)benzamide
SMILESCCCCOCCOc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-2-3-6-17-7-8-18-10-4-5-12(14)11(9-10)13(15)16/h4-5,9H,2-3,6-8,14H2,1H3,(H2,15,16)
InChIKeyBNFMMFDGQVPCMZ-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

2-amino-5-(2-ethoxyethoxy)benzamide
CID 61306678
2-amino-5-(3-hydroxypropoxy)benzamide
CID 61307251
2-amino-5-heptoxybenzoic acid
CID 54888058
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide
CID 115505667
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
2-amino-5-(2-butoxyethoxy)benzonitrile
CID 113324091
2-amino-4-(2-propoxyethoxy)benzoic acid
CID 104501054
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
CID 61306005
2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-butoxyethoxy)benzamide?
The IUPAC name of 2-amino-5-(2-butoxyethoxy)benzamide (CID 61307409) is 2-amino-5-(2-butoxyethoxy)benzamide.
What is the SMILES notation for 2-amino-5-(2-butoxyethoxy)benzamide?
The canonical SMILES for 2-amino-5-(2-butoxyethoxy)benzamide is CCCCOCCOc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-(2-butoxyethoxy)benzamide?
The InChIKey is BNFMMFDGQVPCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-3-6-17-7-8-18-10-4-5-12(14)11(9-10)13(15)16/h4-5,9H,2-3,6-8,14H2,1H3,(H2,15,16).
What are the key properties of 2-amino-5-(2-butoxyethoxy)benzamide?
2-amino-5-(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 2-amino-5-(2-butoxyethoxy)benzamide is sourced from PubChem (CID 61307409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).