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

C18H30N2O — CID 43781317

IUPAC2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-6-12-19-17(21)14(2)20-16(13-18(3,4)5)15-10-8-7-9-11-15/h7-11,14,16,20H,6,12-13H2,1-5H3,(H,19,21)
InChIKeyQOIBOWLLBAYODA-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.67
Rot. Bonds7

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

2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide (PubChem CID 43781317) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide
PubChem CID43781317
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-6-12-19-17(21)14(2)20-16(13-18(3,4)5)15-10-8-7-9-11-15/h7-11,14,16,20H,6,12-13H2,1-5H3,(H,19,21)
InChIKeyQOIBOWLLBAYODA-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798
2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide
CID 106344306
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
CID 60853479
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724674
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
CID 76893437
2-(butan-2-ylamino)-N-(3,3-dimethyl-1-phenylbutyl)acetamide
CID 60853926
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide
CID 43777761
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide (CID 43781317) is 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide?
The InChIKey is QOIBOWLLBAYODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-12-19-17(21)14(2)20-16(13-18(3,4)5)15-10-8-7-9-11-15/h7-11,14,16,20H,6,12-13H2,1-5H3,(H,19,21).
What are the key properties of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide?
2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide has a molecular weight of 290.45 g/mol, XLogP of 3.67, 7 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-propylpropanamide is sourced from PubChem (CID 43781317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).