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

C22H29N3O3 — CID 55580341

IUPACN-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC1CN(CCNC(=O)CCNC(=O)c2ccc3ccccc3c2)CC(C)O1
InChIInChI=1S/C22H29N3O3/c1-16-14-25(15-17(2)28-16)12-11-23-21(26)9-10-24-22(27)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBLVATMVOLQBOSI-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.19
Rot. Bonds7

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

N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55580341) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55580341
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC1CN(CCNC(=O)CCNC(=O)c2ccc3ccccc3c2)CC(C)O1
InChIInChI=1S/C22H29N3O3/c1-16-14-25(15-17(2)28-16)12-11-23-21(26)9-10-24-22(27)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBLVATMVOLQBOSI-UHFFFAOYSA-N
XLogP2.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55631634
4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide
CID 55629039
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 43044370
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 97214308
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 55521788
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide
CID 55569040

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55580341) is N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide is CC1CN(CCNC(=O)CCNC(=O)c2ccc3ccccc3c2)CC(C)O1.
What is the InChIKey of N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is BLVATMVOLQBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16-14-25(15-17(2)28-16)12-11-23-21(26)9-10-24-22(27)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55580341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).