N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide

C16H19N3O2 — CID 119384874

IUPACN-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
SMILESNCCNC(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19N3O2/c17-8-10-18-15(20)7-9-19-16(21)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10,17H2,(H,18,20)(H,19,21)
InChIKeyLWUKBLZQLYWYQW-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.03
Rot. Bonds6

About N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide

N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 119384874) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID119384874
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
SMILESNCCNC(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19N3O2/c17-8-10-18-15(20)7-9-19-16(21)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10,17H2,(H,18,20)(H,19,21)
InChIKeyLWUKBLZQLYWYQW-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55568477
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide
CID 55569040
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55720127
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46481818
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580341
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 119591532

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide (CID 119384874) is N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide is NCCNC(=O)CCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is LWUKBLZQLYWYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-8-10-18-15(20)7-9-19-16(21)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10,17H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 119384874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).