2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide

C17H27N3O2 — CID 119946742

IUPAC2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide
SMILESCC1CN(CCCCNC(=O)c2ccccc2N)CC(C)O1
InChIInChI=1S/C17H27N3O2/c1-13-11-20(12-14(2)22-13)10-6-5-9-19-17(21)15-7-3-4-8-16(15)18/h3-4,7-8,13-14H,5-6,9-12,18H2,1-2H3,(H,19,21)
InChIKeyLEQZZZHQYHUIBL-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.89
Rot. Bonds6

About 2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide

2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide (PubChem CID 119946742) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide
PubChem CID119946742
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide
SMILESCC1CN(CCCCNC(=O)c2ccccc2N)CC(C)O1
InChIInChI=1S/C17H27N3O2/c1-13-11-20(12-14(2)22-13)10-6-5-9-19-17(21)15-7-3-4-8-16(15)18/h3-4,7-8,13-14H,5-6,9-12,18H2,1-2H3,(H,19,21)
InChIKeyLEQZZZHQYHUIBL-UHFFFAOYSA-N
XLogP1.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-phenylprop-2-ynamide
CID 97039116
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
2-amino-N-dodecylbenzamide
CID 54099396
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
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-(2,6-dimethylmorpholin-4-yl)propyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 55628988
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide?
The IUPAC name of 2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide (CID 119946742) is 2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide.
What is the SMILES notation for 2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide?
The canonical SMILES for 2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide is CC1CN(CCCCNC(=O)c2ccccc2N)CC(C)O1.
What is the InChIKey of 2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide?
The InChIKey is LEQZZZHQYHUIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-11-20(12-14(2)22-13)10-6-5-9-19-17(21)15-7-3-4-8-16(15)18/h3-4,7-8,13-14H,5-6,9-12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide?
2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide has a molecular weight of 305.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide is sourced from PubChem (CID 119946742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).