2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide

C13H16N2O2 — CID 113476878

IUPAC2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide
SMILESC#CCC(C)NC(=O)c1cccc(OC)c1N
InChIInChI=1S/C13H16N2O2/c1-4-6-9(2)15-13(16)10-7-5-8-11(17-3)12(10)14/h1,5,7-9H,6,14H2,2-3H3,(H,15,16)
InChIKeyUURJBARHFRXFPH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.42
Rot. Bonds4

About 2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide

2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide (PubChem CID 113476878) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide
PubChem CID113476878
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide
SMILESC#CCC(C)NC(=O)c1cccc(OC)c1N
InChIInChI=1S/C13H16N2O2/c1-4-6-9(2)15-13(16)10-7-5-8-11(17-3)12(10)14/h1,5,7-9H,6,14H2,2-3H3,(H,15,16)
InChIKeyUURJBARHFRXFPH-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 83177577
3-amino-2-ethoxy-N-pent-4-yn-2-ylbenzamide
CID 113476869
N-(1-amino-1-oxopent-4-yn-2-yl)-2-methoxybenzamide
CID 75433492
2-amino-3-methoxy-N-(2-methoxypropyl)benzamide
CID 102694295
N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide
CID 115647144
2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
1-(2-methoxyphenyl)-3-pent-4-yn-2-ylurea
CID 115662879
3-methyl-2-nitro-N-pent-4-yn-2-ylbenzamide
CID 113245297
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-heptan-2-yl-2-hydroxy-3-methoxybenzamide
CID 60653869
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide?
The IUPAC name of 2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide (CID 113476878) is 2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide.
What is the SMILES notation for 2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide?
The canonical SMILES for 2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide is C#CCC(C)NC(=O)c1cccc(OC)c1N.
What is the InChIKey of 2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide?
The InChIKey is UURJBARHFRXFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-6-9(2)15-13(16)10-7-5-8-11(17-3)12(10)14/h1,5,7-9H,6,14H2,2-3H3,(H,15,16).
What are the key properties of 2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide?
2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide has a molecular weight of 232.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide is sourced from PubChem (CID 113476878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).