N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide

C17H28N2O — CID 60926719

IUPACN,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
SMILESCC(C)Cc1ccc(C(C)NCCC(=O)N(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)12-15-6-8-16(9-7-15)14(3)18-11-10-17(20)19(4)5/h6-9,13-14,18H,10-12H2,1-5H3
InChIKeyYJCDSJPVQCDLJY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.01
Rot. Bonds7

About N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide

N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide (PubChem CID 60926719) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
PubChem CID60926719
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
SMILESCC(C)Cc1ccc(C(C)NCCC(=O)N(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)12-15-6-8-16(9-7-15)14(3)18-11-10-17(20)19(4)5/h6-9,13-14,18H,10-12H2,1-5H3
InChIKeyYJCDSJPVQCDLJY-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
CID 60925806
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934619
N,N-dimethyl-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanamide
CID 81356992
N,N-dimethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 78817279
N,N-dimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 63011400
N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide
CID 63868541
3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide
CID 111298705
N,N-dimethyl-4-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81410553
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 107094093

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide (CID 60926719) is N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide is CC(C)Cc1ccc(C(C)NCCC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide?
The InChIKey is YJCDSJPVQCDLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)12-15-6-8-16(9-7-15)14(3)18-11-10-17(20)19(4)5/h6-9,13-14,18H,10-12H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide?
N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide is sourced from PubChem (CID 60926719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).