2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate

C18H21NO3 — CID 91722119

IUPAC2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
SMILESCC(C)COC(=O)CN(C)C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H21NO3/c1-13(2)12-22-17(20)11-19(3)18(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,11-12H2,1-3H3
InChIKeyZHYPEWAUIATXIS-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.11
Rot. Bonds5

About 2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate

2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate (PubChem CID 91722119) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
PubChem CID91722119
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
SMILESCC(C)COC(=O)CN(C)C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H21NO3/c1-13(2)12-22-17(20)11-19(3)18(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,11-12H2,1-3H3
InChIKeyZHYPEWAUIATXIS-UHFFFAOYSA-N
XLogP3.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
CID 91722124
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate
CID 5222454
ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
CID 54785098
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
propyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711904

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate (CID 91722119) is 2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate is CC(C)COC(=O)CN(C)C(=O)c1cccc2ccccc12.
What is the InChIKey of 2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
The InChIKey is ZHYPEWAUIATXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(2)12-22-17(20)11-19(3)18(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate has a molecular weight of 299.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate is sourced from PubChem (CID 91722119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).