N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide

C12H26N2O2 — CID 115869014

IUPACN-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(CC)CCCO
InChIInChI=1S/C12H26N2O2/c1-5-10(3)13-12(16)11(4)14(6-2)8-7-9-15/h10-11,15H,5-9H2,1-4H3,(H,13,16)
InChIKeyDIDJSZLWYNXIHK-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.99
Rot. Bonds8

About N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide

N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide (PubChem CID 115869014) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide
PubChem CID115869014
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(CC)CCCO
InChIInChI=1S/C12H26N2O2/c1-5-10(3)13-12(16)11(4)14(6-2)8-7-9-15/h10-11,15H,5-9H2,1-4H3,(H,13,16)
InChIKeyDIDJSZLWYNXIHK-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide (CID 115869014) is N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide is CCC(C)NC(=O)C(C)N(CC)CCCO.
What is the InChIKey of N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide?
The InChIKey is DIDJSZLWYNXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(3)13-12(16)11(4)14(6-2)8-7-9-15/h10-11,15H,5-9H2,1-4H3,(H,13,16).
What are the key properties of N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide?
N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide has a molecular weight of 230.35 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide is sourced from PubChem (CID 115869014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).