N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide

C17H21BrN2O — CID 81266206

IUPACN-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H21BrN2O/c1-17(2,3)19-9-8-16(21)20-15-7-5-12-10-14(18)6-4-13(12)11-15/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyIJBZXQZYRAUYDV-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.32
Rot. Bonds4

About N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide

N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide (PubChem CID 81266206) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
PubChem CID81266206
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H21BrN2O/c1-17(2,3)19-9-8-16(21)20-15-7-5-12-10-14(18)6-4-13(12)11-15/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyIJBZXQZYRAUYDV-UHFFFAOYSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide
CID 60851334
N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
CID 82867959
N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide
CID 81003623
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546
3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 61229798
N-(6-bromonaphthalen-2-yl)-2-cyclopropylacetamide
CID 81004000
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide
CID 81260425

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide (CID 81266206) is N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide is CC(C)(C)NCCC(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide?
The InChIKey is IJBZXQZYRAUYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-17(2,3)19-9-8-16(21)20-15-7-5-12-10-14(18)6-4-13(12)11-15/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide?
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide has a molecular weight of 349.27 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide is sourced from PubChem (CID 81266206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).