N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C18H26N2O — CID 81389029

IUPACN-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)CCCN2)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-13(14-6-3-2-4-7-14)20-18(21)16-9-10-17-15(12-16)8-5-11-19-17/h9-10,12-14,19H,2-8,11H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyDGKXXGPVXORKJP-ZDUSSCGKSA-N
MW286.42 g/mol
LogP3.74
Rot. Bonds3

About N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 81389029) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID81389029
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)CCCN2)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-13(14-6-3-2-4-7-14)20-18(21)16-9-10-17-15(12-16)8-5-11-19-17/h9-10,12-14,19H,2-8,11H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyDGKXXGPVXORKJP-ZDUSSCGKSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81385612
N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 104938337
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43533899
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81394978
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 62360933
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63297309
N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106212712

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 81389029) is N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)CCCN2)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is DGKXXGPVXORKJP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(14-6-3-2-4-7-14)20-18(21)16-9-10-17-15(12-16)8-5-11-19-17/h9-10,12-14,19H,2-8,11H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 81389029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).