2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide

C11H16N2O3 — CID 81421037

IUPAC2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NCCCO
InChIInChI=1S/C11H16N2O3/c1-16-9-5-2-4-8(12)10(9)11(15)13-6-3-7-14/h2,4-5,14H,3,6-7,12H2,1H3,(H,13,15)
InChIKeyFTTHFVPCQJDOPO-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.39
Rot. Bonds5

About 2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide

2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide (PubChem CID 81421037) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
PubChem CID81421037
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NCCCO
InChIInChI=1S/C11H16N2O3/c1-16-9-5-2-4-8(12)10(9)11(15)13-6-3-7-14/h2,4-5,14H,3,6-7,12H2,1H3,(H,13,15)
InChIKeyFTTHFVPCQJDOPO-UHFFFAOYSA-N
XLogP0.39
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
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-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
CID 81421132
2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
CID 81420269
2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
CID 81395966
2-amino-6-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 81395621
2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide
CID 114154654
2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 106425219
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 81393736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide (CID 81421037) is 2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide is COc1cccc(N)c1C(=O)NCCCO.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide?
The InChIKey is FTTHFVPCQJDOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-9-5-2-4-8(12)10(9)11(15)13-6-3-7-14/h2,4-5,14H,3,6-7,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide?
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide has a molecular weight of 224.26 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide is sourced from PubChem (CID 81421037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).