2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide

C16H26N2O2 — CID 111334765

IUPAC2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC(C)(O)c1ccccc1)N(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)14(18(4)5)15(19)17-11-16(3,20)13-9-7-6-8-10-13/h6-10,12,14,20H,11H2,1-5H3,(H,17,19)
InChIKeyFCBAPPVLDUVHMF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.60
Rot. Bonds6

About 2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide

2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide (PubChem CID 111334765) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
PubChem CID111334765
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC(C)(O)c1ccccc1)N(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)14(18(4)5)15(19)17-11-16(3,20)13-9-7-6-8-10-13/h6-10,12,14,20H,11H2,1-5H3,(H,17,19)
InChIKeyFCBAPPVLDUVHMF-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide
CID 71855133
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
CID 99787425
(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
CID 95769505
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
CID 110021066
N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
CID 119528234
N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide
CID 111477609
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
CID 111335704

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide?
The IUPAC name of 2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide (CID 111334765) is 2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide is CC(C)C(C(=O)NCC(C)(O)c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide?
The InChIKey is FCBAPPVLDUVHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)14(18(4)5)15(19)17-11-16(3,20)13-9-7-6-8-10-13/h6-10,12,14,20H,11H2,1-5H3,(H,17,19).
What are the key properties of 2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide?
2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide is sourced from PubChem (CID 111334765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).