N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide

C22H29N3O3 — CID 55862498

IUPACN-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H29N3O3/c1-3-12-23-20(26)16-25(14-4-2)21(27)11-13-24-22(28)19-10-9-17-7-5-6-8-18(17)15-19/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyMPIKBZPBVJLJPU-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.72
Rot. Bonds10

About N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide

N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide (PubChem CID 55862498) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide
PubChem CID55862498
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H29N3O3/c1-3-12-23-20(26)16-25(14-4-2)21(27)11-13-24-22(28)19-10-9-17-7-5-6-8-18(17)15-19/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyMPIKBZPBVJLJPU-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propylnaphthalene-2-carboxamide
CID 6624536
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid
CID 119189971
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-pentylnaphthalene-2-carboxamide
CID 91722098
4-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]benzoic acid
CID 119181956
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide
CID 55861980
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide (CID 55862498) is N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide is CCCNC(=O)CN(CCC)C(=O)CCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide?
The InChIKey is MPIKBZPBVJLJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-12-23-20(26)16-25(14-4-2)21(27)11-13-24-22(28)19-10-9-17-7-5-6-8-18(17)15-19/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide?
N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55862498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).