4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide

C22H30N4O2 — CID 46470503

IUPAC4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C22H30N4O2/c1-15(20(27)24-14-17-8-7-13-23-19(17)26(5)6)25-21(28)16-9-11-18(12-10-16)22(2,3)4/h7-13,15H,14H2,1-6H3,(H,24,27)(H,25,28)
InChIKeySTJPCUDQLWFGMK-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.88
Rot. Bonds6

About 4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide

4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 46470503) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID46470503
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C22H30N4O2/c1-15(20(27)24-14-17-8-7-13-23-19(17)26(5)6)25-21(28)16-9-11-18(12-10-16)22(2,3)4/h7-13,15H,14H2,1-6H3,(H,24,27)(H,25,28)
InChIKeySTJPCUDQLWFGMK-UHFFFAOYSA-N
XLogP2.88
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
4-tert-butyl-N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 2392296
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide
CID 94775944
4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide
CID 56585451
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519
4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 46469562
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 45243997
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028479
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide
CID 51658349

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide (CID 46470503) is 4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1cccnc1N(C)C.
What is the InChIKey of 4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is STJPCUDQLWFGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(20(27)24-14-17-8-7-13-23-19(17)26(5)6)25-21(28)16-9-11-18(12-10-16)22(2,3)4/h7-13,15H,14H2,1-6H3,(H,24,27)(H,25,28).
What are the key properties of 4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide?
4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 46470503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).