N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide

C23H31N3O3 — CID 55631634

IUPACN-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC1CN(CCCNC(=O)CCNC(=O)c2ccc3ccccc3c2)CC(C)O1
InChIInChI=1S/C23H31N3O3/c1-17-15-26(16-18(2)29-17)13-5-11-24-22(27)10-12-25-23(28)21-9-8-19-6-3-4-7-20(19)14-21/h3-4,6-9,14,17-18H,5,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQJMYGRXHFHMDDT-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.58
Rot. Bonds8

About N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55631634) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55631634
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC1CN(CCCNC(=O)CCNC(=O)c2ccc3ccccc3c2)CC(C)O1
InChIInChI=1S/C23H31N3O3/c1-17-15-26(16-18(2)29-17)13-5-11-24-22(27)10-12-25-23(28)21-9-8-19-6-3-4-7-20(19)14-21/h3-4,6-9,14,17-18H,5,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQJMYGRXHFHMDDT-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580341
4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide
CID 55629039
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55629295
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
CID 97024088
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55631634) is N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide is CC1CN(CCCNC(=O)CCNC(=O)c2ccc3ccccc3c2)CC(C)O1.
What is the InChIKey of N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is QJMYGRXHFHMDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17-15-26(16-18(2)29-17)13-5-11-24-22(27)10-12-25-23(28)21-9-8-19-6-3-4-7-20(19)14-21/h3-4,6-9,14,17-18H,5,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55631634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).