N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide

C12H23N3O3 — CID 51242479

IUPACN-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NC(=O)NC(C)(C)C)N1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-9(15-5-7-18-8-6-15)10(16)13-11(17)14-12(2,3)4/h9H,5-8H2,1-4H3,(H2,13,14,16,17)
InChIKeyXYOVHUYWRYXRQN-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.33
Rot. Bonds2

About N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide

N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide (PubChem CID 51242479) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide
PubChem CID51242479
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NC(=O)NC(C)(C)C)N1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-9(15-5-7-18-8-6-15)10(16)13-11(17)14-12(2,3)4/h9H,5-8H2,1-4H3,(H2,13,14,16,17)
InChIKeyXYOVHUYWRYXRQN-UHFFFAOYSA-N
XLogP0.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563161
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide
CID 9275115
N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide
CID 43039479
(2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430972
(2R)-N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
CID 99122935
(2R)-N-(cyclohexylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 8903762
N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
CID 91642695
(2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 94796955
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680027
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
(2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 52506993
4-[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 97246729

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide (CID 51242479) is N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide is CC(C(=O)NC(=O)NC(C)(C)C)N1CCOCC1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide?
The InChIKey is XYOVHUYWRYXRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(15-5-7-18-8-6-15)10(16)13-11(17)14-12(2,3)4/h9H,5-8H2,1-4H3,(H2,13,14,16,17).
What are the key properties of N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide?
N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide has a molecular weight of 257.33 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 51242479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).