N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide

C13H23N3O3 — CID 79833896

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCOC(CO)C1
InChIInChI=1S/C13H23N3O3/c1-10(2)13(3,9-14)15-12(18)7-16-4-5-19-11(6-16)8-17/h10-11,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyIGNFXVUSFRQIRP-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.27
Rot. Bonds5

About N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide (PubChem CID 79833896) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
PubChem CID79833896
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCOC(CO)C1
InChIInChI=1S/C13H23N3O3/c1-10(2)13(3,9-14)15-12(18)7-16-4-5-19-11(6-16)8-17/h10-11,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyIGNFXVUSFRQIRP-UHFFFAOYSA-N
XLogP-0.27
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 63365075
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95270915
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681261
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 31930775
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51287537
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95324163
tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate
CID 79833522
tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate
CID 156853972
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 51227036
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95345333
methyl N-[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]carbamate
CID 79833806
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107407960

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide (CID 79833896) is N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide is CC(C)C(C)(C#N)NC(=O)CN1CCOC(CO)C1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The InChIKey is IGNFXVUSFRQIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(2)13(3,9-14)15-12(18)7-16-4-5-19-11(6-16)8-17/h10-11,17H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide has a molecular weight of 269.34 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 79833896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).