3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide

C18H24N2O — CID 62369453

IUPAC3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C18H24N2O/c1-18(2,3)20-12-11-17(21)19-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,20H,11-13H2,1-3H3,(H,19,21)
InChIKeyAEODGHITWDTEDO-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.23
Rot. Bonds5

About 3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide

3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide (PubChem CID 62369453) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide
PubChem CID62369453
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C18H24N2O/c1-18(2,3)20-12-11-17(21)19-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,20H,11-13H2,1-3H3,(H,19,21)
InChIKeyAEODGHITWDTEDO-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 47185263
3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427105
N-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999
N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9089883
N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 62369293
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383
3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879787
3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 60872199

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide (CID 62369453) is 3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide is CC(C)(C)NCCC(=O)NCc1cccc2ccccc12.
What is the InChIKey of 3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide?
The InChIKey is AEODGHITWDTEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,3)20-12-11-17(21)19-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,20H,11-13H2,1-3H3,(H,19,21).
What are the key properties of 3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide?
3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide has a molecular weight of 284.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 62369453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).