N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide

C17H22N2O — CID 120567667

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(CN)c1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O/c1-12(2)9-17(20)19-16(11-18)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,12,16H,9,11,18H2,1-2H3,(H,19,20)
InChIKeyLZWKJKWLGNELDO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.00
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide

N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide (PubChem CID 120567667) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
PubChem CID120567667
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(CN)c1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O/c1-12(2)9-17(20)19-16(11-18)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,12,16H,9,11,18H2,1-2H3,(H,19,20)
InChIKeyLZWKJKWLGNELDO-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide
CID 120567799
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 120567798
N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 120567986
N-(2-amino-1-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 120567970
N-(2-amino-1-naphthalen-2-ylethyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 120567731
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
CID 120567726
N-(2-amino-1-naphthalen-2-ylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120567791
N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120567542
N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120567632
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride
CID 120567612

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide (CID 120567667) is N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide is CC(C)CC(=O)NC(CN)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide?
The InChIKey is LZWKJKWLGNELDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)9-17(20)19-16(11-18)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,12,16H,9,11,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide?
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide has a molecular weight of 270.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide is sourced from PubChem (CID 120567667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).