2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide

C16H26N2O — CID 43777761

IUPAC2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-5-17-15(19)12-18-14(11-16(2,3)4)13-9-7-6-8-10-13/h6-10,14,18H,5,11-12H2,1-4H3,(H,17,19)
InChIKeyUAHNMWWDMCGRKF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.89
Rot. Bonds6

About 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide

2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide (PubChem CID 43777761) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide
PubChem CID43777761
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-5-17-15(19)12-18-14(11-16(2,3)4)13-9-7-6-8-10-13/h6-10,14,18H,5,11-12H2,1-4H3,(H,17,19)
InChIKeyUAHNMWWDMCGRKF-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-(3,3-dimethyl-1-phenylbutyl)acetamide
CID 60853926
N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
CID 63182961
2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide
CID 43781317
N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9224578
4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 103921676
2-[(2-hydroxy-1-phenylethyl)amino]-N-(3-methylbutyl)acetamide
CID 63183041
2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61329225
N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine
CID 43489064
4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid
CID 119201300
[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol
CID 115454441

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide (CID 43777761) is 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide is CCNC(=O)CNC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide?
The InChIKey is UAHNMWWDMCGRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-17-15(19)12-18-14(11-16(2,3)4)13-9-7-6-8-10-13/h6-10,14,18H,5,11-12H2,1-4H3,(H,17,19).
What are the key properties of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide?
2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide has a molecular weight of 262.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide is sourced from PubChem (CID 43777761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).