methyl 5-(naphthalene-2-carbonylamino)pentanoate

C17H19NO3 — CID 42598707

IUPACmethyl 5-(naphthalene-2-carbonylamino)pentanoate
SMILESCOC(=O)CCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-21-16(19)8-4-5-11-18-17(20)15-10-9-13-6-2-3-7-14(13)12-15/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,18,20)
InChIKeyPNWRGRFFDRDLBS-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.91
Rot. Bonds6

About methyl 5-(naphthalene-2-carbonylamino)pentanoate

methyl 5-(naphthalene-2-carbonylamino)pentanoate (PubChem CID 42598707) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 5-(naphthalene-2-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-(naphthalene-2-carbonylamino)pentanoate
PubChem CID42598707
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 5-(naphthalene-2-carbonylamino)pentanoate
SMILESCOC(=O)CCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-21-16(19)8-4-5-11-18-17(20)15-10-9-13-6-2-3-7-14(13)12-15/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,18,20)
InChIKeyPNWRGRFFDRDLBS-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
methyl 6-(1H-indazole-6-carbonylamino)hexanoate
CID 43423425
methyl 7-[(3-phenoxybenzoyl)amino]heptanoate
CID 36622065
methyl 6-[(3-phenoxybenzoyl)amino]hexanoate
CID 31839416
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
N-propylnaphthalene-2-carboxamide
CID 6624536
methyl 4-benzamidobutanoate
CID 13197711

Frequently Asked Questions

What is the IUPAC name of methyl 5-(naphthalene-2-carbonylamino)pentanoate?
The IUPAC name of methyl 5-(naphthalene-2-carbonylamino)pentanoate (CID 42598707) is methyl 5-(naphthalene-2-carbonylamino)pentanoate.
What is the SMILES notation for methyl 5-(naphthalene-2-carbonylamino)pentanoate?
The canonical SMILES for methyl 5-(naphthalene-2-carbonylamino)pentanoate is COC(=O)CCCCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 5-(naphthalene-2-carbonylamino)pentanoate?
The InChIKey is PNWRGRFFDRDLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-16(19)8-4-5-11-18-17(20)15-10-9-13-6-2-3-7-14(13)12-15/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,18,20).
What are the key properties of methyl 5-(naphthalene-2-carbonylamino)pentanoate?
methyl 5-(naphthalene-2-carbonylamino)pentanoate has a molecular weight of 285.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(naphthalene-2-carbonylamino)pentanoate is sourced from PubChem (CID 42598707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).