2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide

C18H25N3O2 — CID 56706355

IUPAC2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide
SMILESCC(C)CN1CCOC(CCNC(=O)c2ccccc2C#N)C1
InChIInChI=1S/C18H25N3O2/c1-14(2)12-21-9-10-23-16(13-21)7-8-20-18(22)17-6-4-3-5-15(17)11-19/h3-6,14,16H,7-10,12-13H2,1-2H3,(H,20,22)
InChIKeyVAFXLOCKKGSUOT-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.03
Rot. Bonds6

About 2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide

2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide (PubChem CID 56706355) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide
PubChem CID56706355
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide
SMILESCC(C)CN1CCOC(CCNC(=O)c2ccccc2C#N)C1
InChIInChI=1S/C18H25N3O2/c1-14(2)12-21-9-10-23-16(13-21)7-8-20-18(22)17-6-4-3-5-15(17)11-19/h3-6,14,16H,7-10,12-13H2,1-2H3,(H,20,22)
InChIKeyVAFXLOCKKGSUOT-UHFFFAOYSA-N
XLogP2.03
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 46536372
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[2-[(2R)-4-(2-methylpropyl)morpholin-2-yl]ethyl]prop-1-en-2-amine
CID 155448674
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 78838978
2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile
CID 22110783
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide
CID 56710225
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide
CID 56704628
2-methyl-N-[1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 55849752

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide?
The IUPAC name of 2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide (CID 56706355) is 2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide?
The canonical SMILES for 2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide is CC(C)CN1CCOC(CCNC(=O)c2ccccc2C#N)C1.
What is the InChIKey of 2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide?
The InChIKey is VAFXLOCKKGSUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(2)12-21-9-10-23-16(13-21)7-8-20-18(22)17-6-4-3-5-15(17)11-19/h3-6,14,16H,7-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide?
2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide is sourced from PubChem (CID 56706355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).