N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide

C16H22N2O4 — CID 47058267

IUPACN-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide
SMILESO=C(COC1CCCC1)NCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H22N2O4/c19-13-7-5-12(6-8-13)16(21)18-10-9-17-15(20)11-22-14-3-1-2-4-14/h5-8,14,19H,1-4,9-11H2,(H,17,20)(H,18,21)
InChIKeyYQPRRLDVYLEYIB-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.20
Rot. Bonds7

About N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide

N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide (PubChem CID 47058267) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide
PubChem CID47058267
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide
SMILESO=C(COC1CCCC1)NCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H22N2O4/c19-13-7-5-12(6-8-13)16(21)18-10-9-17-15(20)11-22-14-3-1-2-4-14/h5-8,14,19H,1-4,9-11H2,(H,17,20)(H,18,21)
InChIKeyYQPRRLDVYLEYIB-UHFFFAOYSA-N
XLogP1.20
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide?
The IUPAC name of N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide (CID 47058267) is N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide is O=C(COC1CCCC1)NCCNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide?
The InChIKey is YQPRRLDVYLEYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-13-7-5-12(6-8-13)16(21)18-10-9-17-15(20)11-22-14-3-1-2-4-14/h5-8,14,19H,1-4,9-11H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide?
N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide has a molecular weight of 306.36 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 47058267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).