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

C19H23NO3 — CID 91722124

IUPACpentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H23NO3/c1-3-4-7-13-23-18(21)14-20(2)19(22)17-12-8-10-15-9-5-6-11-16(15)17/h5-6,8-12H,3-4,7,13-14H2,1-2H3
InChIKeyGMLAGKZURTUBGK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.65
Rot. Bonds7

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

pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate (PubChem CID 91722124) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate.

Molecular Properties

Compound Namepentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
PubChem CID91722124
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namepentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H23NO3/c1-3-4-7-13-23-18(21)14-20(2)19(22)17-12-8-10-15-9-5-6-11-16(15)17/h5-6,8-12H,3-4,7,13-14H2,1-2H3
InChIKeyGMLAGKZURTUBGK-UHFFFAOYSA-N
XLogP3.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octyl 2-[(2-chlorobenzoyl)-methylamino]acetate
CID 91716463
decyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711916
pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 91715427
2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
CID 91722119
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
CID 91715321
undecyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710673
octyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710670
pentyl 2-[(3-fluorobenzoyl)-methylamino]acetate
CID 91711909
decyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710672
propyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711904
pentyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715426

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
The IUPAC name of pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate (CID 91722124) is pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate.
What is the SMILES notation for pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
The canonical SMILES for pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate is CCCCCOC(=O)CN(C)C(=O)c1cccc2ccccc12.
What is the InChIKey of pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
The InChIKey is GMLAGKZURTUBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-4-7-13-23-18(21)14-20(2)19(22)17-12-8-10-15-9-5-6-11-16(15)17/h5-6,8-12H,3-4,7,13-14H2,1-2H3.
What are the key properties of pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate?
pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate has a molecular weight of 313.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate is sourced from PubChem (CID 91722124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).