N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide

C11H20N2O3 — CID 174411041

IUPACN-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide
SMILESC=CC(=O)NCCCCCC(=O)NC(C)O
InChIInChI=1S/C11H20N2O3/c1-3-10(15)12-8-6-4-5-7-11(16)13-9(2)14/h3,9,14H,1,4-8H2,2H3,(H,12,15)(H,13,16)
InChIKeyHHDGRILGQGPWTA-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.30
Rot. Bonds8

About N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide

N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide (PubChem CID 174411041) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide
PubChem CID174411041
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide
SMILESC=CC(=O)NCCCCCC(=O)NC(C)O
InChIInChI=1S/C11H20N2O3/c1-3-10(15)12-8-6-4-5-7-11(16)13-9(2)14/h3,9,14H,1,4-8H2,2H3,(H,12,15)(H,13,16)
InChIKeyHHDGRILGQGPWTA-UHFFFAOYSA-N
XLogP0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
CID 131887558
CID 131887558
3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
CID 162769514
dimethyl (2S)-2-[11-(prop-2-enoylamino)undecanoylamino]pentanedioate
CID 10501837
20-(1-hydroxyethylamino)-20-oxoicosanoic acid
CID 137417852
N-heptadecylprop-2-enamide
CID 20727742
N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid
CID 158939992
6-(prop-2-enoylamino)hexyl 2-methylpropanoate
CID 59532953
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide?
The IUPAC name of N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide (CID 174411041) is N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide.
What is the SMILES notation for N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide?
The canonical SMILES for N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide is C=CC(=O)NCCCCCC(=O)NC(C)O.
What is the InChIKey of N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide?
The InChIKey is HHDGRILGQGPWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-10(15)12-8-6-4-5-7-11(16)13-9(2)14/h3,9,14H,1,4-8H2,2H3,(H,12,15)(H,13,16).
What are the key properties of N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide?
N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide has a molecular weight of 228.29 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide is sourced from PubChem (CID 174411041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).