N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide

C17H24N2O3 — CID 100669857

IUPACN-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide
SMILESO=C(CC1CCCC1)NCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H24N2O3/c20-15-8-6-14(7-9-15)17(22)19-11-3-10-18-16(21)12-13-4-1-2-5-13/h6-9,13,20H,1-5,10-12H2,(H,18,21)(H,19,22)
InChIKeyVZCLCKGCBOUPCQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.21
Rot. Bonds7

About N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide

N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide (PubChem CID 100669857) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide
PubChem CID100669857
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide
SMILESO=C(CC1CCCC1)NCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H24N2O3/c20-15-8-6-14(7-9-15)17(22)19-11-3-10-18-16(21)12-13-4-1-2-5-13/h6-9,13,20H,1-5,10-12H2,(H,18,21)(H,19,22)
InChIKeyVZCLCKGCBOUPCQ-UHFFFAOYSA-N
XLogP2.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119313817
N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide
CID 47058267
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide
CID 119782993
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617
2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide
CID 108924398
N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide
CID 101205073
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
CID 106009628
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119766801
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide?
The IUPAC name of N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide (CID 100669857) is N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide?
The canonical SMILES for N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide is O=C(CC1CCCC1)NCCCNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide?
The InChIKey is VZCLCKGCBOUPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-15-8-6-14(7-9-15)17(22)19-11-3-10-18-16(21)12-13-4-1-2-5-13/h6-9,13,20H,1-5,10-12H2,(H,18,21)(H,19,22).
What are the key properties of N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide?
N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide has a molecular weight of 304.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide is sourced from PubChem (CID 100669857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).