N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide

C17H23N3O — CID 115595956

IUPACN-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
SMILESCC(NCc1ccc2ncccc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H23N3O/c1-12(16(21)20-17(2,3)4)19-11-13-7-8-15-14(10-13)6-5-9-18-15/h5-10,12,19H,11H2,1-4H3,(H,20,21)
InChIKeyHRACNIKAYCKGAK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.63
Rot. Bonds4

About N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide

N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide (PubChem CID 115595956) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
PubChem CID115595956
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
SMILESCC(NCc1ccc2ncccc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H23N3O/c1-12(16(21)20-17(2,3)4)19-11-13-7-8-15-14(10-13)6-5-9-18-15/h5-10,12,19H,11H2,1-4H3,(H,20,21)
InChIKeyHRACNIKAYCKGAK-UHFFFAOYSA-N
XLogP2.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-(quinolin-6-ylmethylamino)propanamide
CID 60659073
N,N-dimethyl-2-(quinolin-6-ylmethylamino)propanamide
CID 61464425
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
N-tert-butyl-2-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103438042
4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
CID 104881409
N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide
CID 115693123
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
(1S)-1-(4-bromophenyl)-N-(quinolin-6-ylmethyl)ethanamine
CID 81356181
3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
CID 115630613
(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
CID 81388844
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide (CID 115595956) is N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide is CC(NCc1ccc2ncccc2c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide?
The InChIKey is HRACNIKAYCKGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(16(21)20-17(2,3)4)19-11-13-7-8-15-14(10-13)6-5-9-18-15/h5-10,12,19H,11H2,1-4H3,(H,20,21).
What are the key properties of N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide?
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide is sourced from PubChem (CID 115595956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).