4-[(4-ethylmorpholin-2-yl)methylamino]benzamide

C14H21N3O2 — CID 79166709

IUPAC4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
SMILESCCN1CCOC(CNc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C14H21N3O2/c1-2-17-7-8-19-13(10-17)9-16-12-5-3-11(4-6-12)14(15)18/h3-6,13,16H,2,7-10H2,1H3,(H2,15,18)
InChIKeyIQRGDURTLHJUGJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.92
Rot. Bonds5

About 4-[(4-ethylmorpholin-2-yl)methylamino]benzamide

4-[(4-ethylmorpholin-2-yl)methylamino]benzamide (PubChem CID 79166709) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(4-ethylmorpholin-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
PubChem CID79166709
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
SMILESCCN1CCOC(CNc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C14H21N3O2/c1-2-17-7-8-19-13(10-17)9-16-12-5-3-11(4-6-12)14(15)18/h3-6,13,16H,2,7-10H2,1H3,(H2,15,18)
InChIKeyIQRGDURTLHJUGJ-UHFFFAOYSA-N
XLogP0.92
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-4-propylaniline
CID 79166530
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
2-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 114400165
methyl 3-amino-4-[(4-ethylmorpholin-2-yl)methylamino]benzoate
CID 114401093
4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
CID 79165325
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
CID 115633969
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylpyridine-2-carboxamide
CID 114400602
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylmorpholin-2-yl)methylamino]benzamide?
The IUPAC name of 4-[(4-ethylmorpholin-2-yl)methylamino]benzamide (CID 79166709) is 4-[(4-ethylmorpholin-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(4-ethylmorpholin-2-yl)methylamino]benzamide?
The canonical SMILES for 4-[(4-ethylmorpholin-2-yl)methylamino]benzamide is CCN1CCOC(CNc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[(4-ethylmorpholin-2-yl)methylamino]benzamide?
The InChIKey is IQRGDURTLHJUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-17-7-8-19-13(10-17)9-16-12-5-3-11(4-6-12)14(15)18/h3-6,13,16H,2,7-10H2,1H3,(H2,15,18).
What are the key properties of 4-[(4-ethylmorpholin-2-yl)methylamino]benzamide?
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylmorpholin-2-yl)methylamino]benzamide is sourced from PubChem (CID 79166709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).