N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide

C17H20N2O2 — CID 115602923

IUPACN-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1c(O)ccc2ccccc12)C1CC1
InChIInChI=1S/C17H20N2O2/c20-16-8-7-12-3-1-2-4-14(12)15(16)11-18-9-10-19-17(21)13-5-6-13/h1-4,7-8,13,18,20H,5-6,9-11H2,(H,19,21)
InChIKeyCKYKPDMMMCYUJG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.16
Rot. Bonds6

About N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115602923) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID115602923
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1c(O)ccc2ccccc12)C1CC1
InChIInChI=1S/C17H20N2O2/c20-16-8-7-12-3-1-2-4-14(12)15(16)11-18-9-10-19-17(21)13-5-6-13/h1-4,7-8,13,18,20H,5-6,9-11H2,(H,19,21)
InChIKeyCKYKPDMMMCYUJG-UHFFFAOYSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115573545
N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115641192
N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115611200
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide
CID 43551924
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
CID 61019837
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
CID 116642987
2-[(2-hydroxynaphthalen-1-yl)methylamino]-N,N-dimethylacetamide
CID 43310908
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide (CID 115602923) is N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide is O=C(NCCNCc1c(O)ccc2ccccc12)C1CC1.
What is the InChIKey of N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is CKYKPDMMMCYUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-8-7-12-3-1-2-4-14(12)15(16)11-18-9-10-19-17(21)13-5-6-13/h1-4,7-8,13,18,20H,5-6,9-11H2,(H,19,21).
What are the key properties of N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115602923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).