3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide

C17H23N3O — CID 81427105

IUPAC3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCc1cccc2cccnc12
InChIInChI=1S/C17H23N3O/c1-17(2,3)20-11-9-15(21)19-12-14-7-4-6-13-8-5-10-18-16(13)14/h4-8,10,20H,9,11-12H2,1-3H3,(H,19,21)
InChIKeyIWZXXRWHHYYEQO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.63
Rot. Bonds5

About 3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide

3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide (PubChem CID 81427105) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
PubChem CID81427105
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCc1cccc2cccnc12
InChIInChI=1S/C17H23N3O/c1-17(2,3)20-11-9-15(21)19-12-14-7-4-6-13-8-5-10-18-16(13)14/h4-8,10,20H,9,11-12H2,1-3H3,(H,19,21)
InChIKeyIWZXXRWHHYYEQO-UHFFFAOYSA-N
XLogP2.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427173
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81426473
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
CID 110909304
tert-butyl 3-(quinolin-8-ylmethylamino)propanoate
CID 103700021
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol
CID 103993618
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide (CID 81427105) is 3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide is CC(C)(C)NCCC(=O)NCc1cccc2cccnc12.
What is the InChIKey of 3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide?
The InChIKey is IWZXXRWHHYYEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,3)20-11-9-15(21)19-12-14-7-4-6-13-8-5-10-18-16(13)14/h4-8,10,20H,9,11-12H2,1-3H3,(H,19,21).
What are the key properties of 3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide?
3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide is sourced from PubChem (CID 81427105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).