N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide

C20H26N2O3 — CID 122133907

IUPACN-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
SMILESCN(CCCNC(=O)C1CCC1)C(=O)C1CCC(=O)c2ccccc21
InChIInChI=1S/C20H26N2O3/c1-22(13-5-12-21-19(24)14-6-4-7-14)20(25)17-10-11-18(23)16-9-3-2-8-15(16)17/h2-3,8-9,14,17H,4-7,10-13H2,1H3,(H,21,24)
InChIKeyMWGJSPWOFJRBOK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.51
Rot. Bonds6

About N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide

N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide (PubChem CID 122133907) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
PubChem CID122133907
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
SMILESCN(CCCNC(=O)C1CCC1)C(=O)C1CCC(=O)c2ccccc21
InChIInChI=1S/C20H26N2O3/c1-22(13-5-12-21-19(24)14-6-4-7-14)20(25)17-10-11-18(23)16-9-3-2-8-15(16)17/h2-3,8-9,14,17H,4-7,10-13H2,1H3,(H,21,24)
InChIKeyMWGJSPWOFJRBOK-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.51
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-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
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CID 107206241
4-propanoyl-3,4-dihydro-2H-naphthalen-1-one
CID 20592810
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112520153
4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149814
N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43926238
N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60566059
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
CID 60981241
N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide
CID 139010276

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
The IUPAC name of N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide (CID 122133907) is N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide is CN(CCCNC(=O)C1CCC1)C(=O)C1CCC(=O)c2ccccc21.
What is the InChIKey of N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
The InChIKey is MWGJSPWOFJRBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-22(13-5-12-21-19(24)14-6-4-7-14)20(25)17-10-11-18(23)16-9-3-2-8-15(16)17/h2-3,8-9,14,17H,4-7,10-13H2,1H3,(H,21,24).
What are the key properties of N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide is sourced from PubChem (CID 122133907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).