N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C19H28N2O — CID 119591602

IUPACN-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNCC(NC(=O)C1CCCc2ccccc21)C1CCCCC1
InChIInChI=1S/C19H28N2O/c20-13-18(15-8-2-1-3-9-15)21-19(22)17-12-6-10-14-7-4-5-11-16(14)17/h4-5,7,11,15,17-18H,1-3,6,8-10,12-13,20H2,(H,21,22)
InChIKeyKJBZNKFCXWYIOC-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.13
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 119591602) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID119591602
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNCC(NC(=O)C1CCCc2ccccc21)C1CCCCC1
InChIInChI=1S/C19H28N2O/c20-13-18(15-8-2-1-3-9-15)21-19(22)17-12-6-10-14-7-4-5-11-16(14)17/h4-5,7,11,15,17-18H,1-3,6,8-10,12-13,20H2,(H,21,22)
InChIKeyKJBZNKFCXWYIOC-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
N-(1-aminopentan-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62718722
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
N-(2-amino-1-cyclopropylethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 65189160
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
CID 119367745
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
CID 43423445
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114307725
N-[2-(aminomethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62956923
N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62361076

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 119591602) is N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NCC(NC(=O)C1CCCc2ccccc21)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is KJBZNKFCXWYIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c20-13-18(15-8-2-1-3-9-15)21-19(22)17-12-6-10-14-7-4-5-11-16(14)17/h4-5,7,11,15,17-18H,1-3,6,8-10,12-13,20H2,(H,21,22).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 119591602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).