4-amino-N-hex-5-ynyl-2-methoxybenzamide

C14H18N2O2 — CID 106208174

IUPAC4-amino-N-hex-5-ynyl-2-methoxybenzamide
SMILESC#CCCCCNC(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H18N2O2/c1-3-4-5-6-9-16-14(17)12-8-7-11(15)10-13(12)18-2/h1,7-8,10H,4-6,9,15H2,2H3,(H,16,17)
InChIKeyUEOMAWXNPVQEAB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.81
Rot. Bonds6

About 4-amino-N-hex-5-ynyl-2-methoxybenzamide

4-amino-N-hex-5-ynyl-2-methoxybenzamide (PubChem CID 106208174) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-N-hex-5-ynyl-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-hex-5-ynyl-2-methoxybenzamide
PubChem CID106208174
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-amino-N-hex-5-ynyl-2-methoxybenzamide
SMILESC#CCCCCNC(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H18N2O2/c1-3-4-5-6-9-16-14(17)12-8-7-11(15)10-13(12)18-2/h1,7-8,10H,4-6,9,15H2,2H3,(H,16,17)
InChIKeyUEOMAWXNPVQEAB-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-hex-5-ynylbenzamide
CID 106208110
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
5-amino-2-bromo-N-hex-5-ynylbenzamide
CID 114158305
N-hex-5-ynyl-3,4-dimethoxybenzamide
CID 113256083
N-hex-5-ynyl-3-methoxy-4-methylbenzamide
CID 103757934
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836361
4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914
2-bromo-N-hex-5-ynyl-5-methoxybenzamide
CID 113256097
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hex-5-ynyl-2-methoxybenzamide?
The IUPAC name of 4-amino-N-hex-5-ynyl-2-methoxybenzamide (CID 106208174) is 4-amino-N-hex-5-ynyl-2-methoxybenzamide.
What is the SMILES notation for 4-amino-N-hex-5-ynyl-2-methoxybenzamide?
The canonical SMILES for 4-amino-N-hex-5-ynyl-2-methoxybenzamide is C#CCCCCNC(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-N-hex-5-ynyl-2-methoxybenzamide?
The InChIKey is UEOMAWXNPVQEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-5-6-9-16-14(17)12-8-7-11(15)10-13(12)18-2/h1,7-8,10H,4-6,9,15H2,2H3,(H,16,17).
What are the key properties of 4-amino-N-hex-5-ynyl-2-methoxybenzamide?
4-amino-N-hex-5-ynyl-2-methoxybenzamide has a molecular weight of 246.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hex-5-ynyl-2-methoxybenzamide is sourced from PubChem (CID 106208174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).