N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide

C18H24N2O — CID 115615842

IUPACN-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNCc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O/c1-18(2,3)20-17(21)10-11-19-13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12,19H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyHFROCLXPDYMMFC-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.23
Rot. Bonds5

About N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide

N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide (PubChem CID 115615842) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide
PubChem CID115615842
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNCc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O/c1-18(2,3)20-17(21)10-11-19-13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12,19H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyHFROCLXPDYMMFC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-[(4-chloro-3-nitrophenyl)methylamino]propanamide
CID 115615824
N-tert-butyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 115605393
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine
CID 115632533
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
N-(naphthalen-2-ylmethyl)-2-oxoacetamide
CID 54357597
3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 54905759
3-hydroxy-N-(naphthalen-2-ylmethyl)propanamide
CID 115139108
N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
CID 112695091
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
3-(2-naphthalen-2-ylethylamino)propanoic acid
CID 115218333

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide (CID 115615842) is N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide is CC(C)(C)NC(=O)CCNCc1ccc2ccccc2c1.
What is the InChIKey of N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide?
The InChIKey is HFROCLXPDYMMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,3)20-17(21)10-11-19-13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12,19H,10-11,13H2,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide?
N-tert-butyl-3-(naphthalen-2-ylmethylamino)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 N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide is sourced from PubChem (CID 115615842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).