3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide

C17H28N2O2 — CID 62016764

IUPAC3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide
SMILESCC(C)N(CCCO)CC(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)19(11-8-12-20)13-17(3,4)16(21)18-15-9-6-5-7-10-15/h5-7,9-10,14,20H,8,11-13H2,1-4H3,(H,18,21)
InChIKeyASHQZCHMGCBAQD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.74
Rot. Bonds8

About 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide

3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide (PubChem CID 62016764) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide
PubChem CID62016764
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide
SMILESCC(C)N(CCCO)CC(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)19(11-8-12-20)13-17(3,4)16(21)18-15-9-6-5-7-10-15/h5-7,9-10,14,20H,8,11-13H2,1-4H3,(H,18,21)
InChIKeyASHQZCHMGCBAQD-UHFFFAOYSA-N
XLogP2.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide (CID 62016764) is 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide is CC(C)N(CCCO)CC(C)(C)C(=O)Nc1ccccc1.
What is the InChIKey of 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is ASHQZCHMGCBAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)19(11-8-12-20)13-17(3,4)16(21)18-15-9-6-5-7-10-15/h5-7,9-10,14,20H,8,11-13H2,1-4H3,(H,18,21).
What are the key properties of 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide?
3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 62016764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).