N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide

C9H18N2O2 — CID 79285561

IUPACN-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(CC)CO
InChIInChI=1S/C9H18N2O2/c1-3-5-10-6-9(13)11-8(4-2)7-12/h3,8,10,12H,1,4-7H2,2H3,(H,11,13)
InChIKeyYETAWGNTVUYQCJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.35
Rot. Bonds7

About N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide

N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79285561) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79285561
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(CC)CO
InChIInChI=1S/C9H18N2O2/c1-3-5-10-6-9(13)11-8(4-2)7-12/h3,8,10,12H,1,4-7H2,2H3,(H,11,13)
InChIKeyYETAWGNTVUYQCJ-UHFFFAOYSA-N
XLogP-0.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]but-3-enamide
CID 104868905
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
N-heptan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914226
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
3-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]butanoic acid
CID 79279619
(2R)-3-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]butanoic acid
CID 79278244
N-octan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914237
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide
CID 78914225
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide (CID 79285561) is N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(CC)CO.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is YETAWGNTVUYQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-5-10-6-9(13)11-8(4-2)7-12/h3,8,10,12H,1,4-7H2,2H3,(H,11,13).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide?
N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 186.25 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).