2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide

C11H24N2O2 — CID 64911612

IUPAC2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNCCC(C)O
InChIInChI=1S/C11H24N2O2/c1-4-5-9(2)13-11(15)8-12-7-6-10(3)14/h9-10,12,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyHHSFTZKXXRFCQJ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.65
Rot. Bonds8

About 2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide

2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide (PubChem CID 64911612) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide
PubChem CID64911612
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNCCC(C)O
InChIInChI=1S/C11H24N2O2/c1-4-5-9(2)13-11(15)8-12-7-6-10(3)14/h9-10,12,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyHHSFTZKXXRFCQJ-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]acetamide
CID 60695403
2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
CID 60976896
N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
CID 112685329
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-pentan-2-ylacetamide
CID 114171847
N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
CID 79394119
2-(2-methoxypropylamino)-N-pentan-2-ylacetamide
CID 102697868
2-(2,2-dimethylbutylamino)-N-pentan-2-ylacetamide
CID 103461265
2-(2-morpholin-4-ylethylamino)-N-pentan-2-ylacetamide
CID 60687135
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
N'-pentan-2-ylpropanediamide
CID 88934201
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
N-cyclopropyl-2-(3-hydroxybutylamino)acetamide
CID 64912481

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide (CID 64911612) is 2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNCCC(C)O.
What is the InChIKey of 2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide?
The InChIKey is HHSFTZKXXRFCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-5-9(2)13-11(15)8-12-7-6-10(3)14/h9-10,12,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide?
2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide has a molecular weight of 216.32 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 64911612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).