(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide

C14H27N3O5 — CID 25171579

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C14H27N3O5/c1-14(2,10-18)12(20)13(21)16-9-11(19)15-3-4-17-5-7-22-8-6-17/h12,18,20H,3-10H2,1-2H3,(H,15,19)(H,16,21)/t12-/m0/s1
InChIKeyBJBTUXUMOJLLKE-LBPRGKRZSA-N
MW317.39 g/mol
LogP-2.07
Rot. Bonds8

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide (PubChem CID 25171579) has the molecular formula C14H27N3O5 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
PubChem CID25171579
Molecular FormulaC14H27N3O5
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C14H27N3O5/c1-14(2,10-18)12(20)13(21)16-9-11(19)15-3-4-17-5-7-22-8-6-17/h12,18,20H,3-10H2,1-2H3,(H,15,19)(H,16,21)/t12-/m0/s1
InChIKeyBJBTUXUMOJLLKE-LBPRGKRZSA-N
XLogP-2.07
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide with MolForge

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride
CID 119863888
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517619
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
2-(diethylcarbamoylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285196
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
2-(aminomethyl)-4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 107471024
2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 43529638
3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide
CID 110305497
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 47178269
tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
CID 110625297
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide (CID 25171579) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide is CC(C)(CO)[C@@H](O)C(=O)NCC(=O)NCCN1CCOCC1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide?
The InChIKey is BJBTUXUMOJLLKE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O5/c1-14(2,10-18)12(20)13(21)16-9-11(19)15-3-4-17-5-7-22-8-6-17/h12,18,20H,3-10H2,1-2H3,(H,15,19)(H,16,21)/t12-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide has a molecular weight of 317.39 g/mol, XLogP of -2.07, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 25171579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).