N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide

C16H24N2O2 — CID 110474046

IUPACN-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
SMILESCC(C)(C)CNC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)12-17-15(19)13-4-6-14(7-5-13)18-8-10-20-11-9-18/h4-7H,8-12H2,1-3H3,(H,17,19)
InChIKeyTYZGFCMFUCVSBL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide

N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide (PubChem CID 110474046) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
PubChem CID110474046
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
SMILESCC(C)(C)CNC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)12-17-15(19)13-4-6-14(7-5-13)18-8-10-20-11-9-18/h4-7H,8-12H2,1-3H3,(H,17,19)
InChIKeyTYZGFCMFUCVSBL-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
3-[[4-(azepan-1-yl)benzoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 167938791
4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
CID 138035822
N-(4,4-dimethylpentyl)-4-pyrrolidin-1-ylbenzamide
CID 110617789
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
CID 70704015
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51253483
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
CID 131906584

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide (CID 110474046) is N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide is CC(C)(C)CNC(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide?
The InChIKey is TYZGFCMFUCVSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)12-17-15(19)13-4-6-14(7-5-13)18-8-10-20-11-9-18/h4-7H,8-12H2,1-3H3,(H,17,19).
What are the key properties of N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide?
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 110474046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).