N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide

C18H23N3O2 — CID 60570477

IUPACN-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide
SMILESCN(CC(=O)NC(=O)NC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-18(2,3)20-17(23)19-16(22)12-21(4)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,12H2,1-4H3,(H2,19,20,22,23)
InChIKeyYVSBNULFQLRUSZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.90
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide

N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide (PubChem CID 60570477) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide
PubChem CID60570477
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide
SMILESCN(CC(=O)NC(=O)NC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-18(2,3)20-17(23)19-16(22)12-21(4)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,12H2,1-4H3,(H2,19,20,22,23)
InChIKeyYVSBNULFQLRUSZ-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 60572967
N-(cyclopropylmethyl)-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60573191
2-[methyl(naphthalen-1-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60570476
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide
CID 55356747
N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 37420375
N-(2-bromophenyl)-2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9252556
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9303583
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2698454
methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide (CID 60570477) is N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide is CN(CC(=O)NC(=O)NC(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is YVSBNULFQLRUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,3)20-17(23)19-16(22)12-21(4)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,12H2,1-4H3,(H2,19,20,22,23).
What are the key properties of N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide?
N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 60570477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).