6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide

C16H24N2O2 — CID 60964131

IUPAC6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide
SMILESNCCCCCC(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H24N2O2/c17-10-3-1-2-7-16(20)18(14-8-9-14)12-13-5-4-6-15(19)11-13/h4-6,11,14,19H,1-3,7-10,12,17H2
InChIKeyKNXABBPXOAWHIX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds8

About 6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide

6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide (PubChem CID 60964131) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide
PubChem CID60964131
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide
SMILESNCCCCCC(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H24N2O2/c17-10-3-1-2-7-16(20)18(14-8-9-14)12-13-5-4-6-15(19)11-13/h4-6,11,14,19H,1-3,7-10,12,17H2
InChIKeyKNXABBPXOAWHIX-UHFFFAOYSA-N
XLogP2.40
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
7-amino-N-benzyl-N-cyclohexylheptanamide
CID 119729560
N-(3-aminopropyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 61399131
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 81172925
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126434964
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide
CID 107909347
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide?
The IUPAC name of 6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide (CID 60964131) is 6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide is NCCCCCC(=O)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide?
The InChIKey is KNXABBPXOAWHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-10-3-1-2-7-16(20)18(14-8-9-14)12-13-5-4-6-15(19)11-13/h4-6,11,14,19H,1-3,7-10,12,17H2.
What are the key properties of 6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide?
6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide has a molecular weight of 276.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide is sourced from PubChem (CID 60964131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).