N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H24N2O2 — CID 107127313

IUPACN-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(O)CNCCNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H24N2O2/c1-12(19)11-17-8-9-18-16(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15,17,19H,6-11H2,1H3,(H,18,20)
InChIKeyHINBCNVVJGQNRX-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.88
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127313) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127313
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(O)CNCCNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H24N2O2/c1-12(19)11-17-8-9-18-16(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15,17,19H,6-11H2,1H3,(H,18,20)
InChIKeyHINBCNVVJGQNRX-UHFFFAOYSA-N
XLogP0.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.88
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

N-[2-(2-hydroxypropylamino)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 104593752
N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106242608
N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127772
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106436158
N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107848051
N-(4,4-diethoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66937672
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 107126365
N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106306525
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106305884

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127313) is N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(O)CNCCNC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is HINBCNVVJGQNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(19)11-17-8-9-18-16(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15,17,19H,6-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).