N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide

C16H26N2O — CID 51075787

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C16H26N2O/c1-5-13(2)16(19)17-12-15(18(3)4)11-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12H2,1-4H3,(H,17,19)
InChIKeyJIETZUSKZFDYTQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds7

About N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide

N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide (PubChem CID 51075787) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
PubChem CID51075787
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C16H26N2O/c1-5-13(2)16(19)17-12-15(18(3)4)11-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12H2,1-4H3,(H,17,19)
InChIKeyJIETZUSKZFDYTQ-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide
CID 61274682
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
(2S)-N-[2-(dimethylamino)-3-phenylpropyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55934836
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 51150484
N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 55337367
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 18153434
3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
CID 71994481
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea
CID 8678665

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide (CID 51075787) is N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide is CCC(C)C(=O)NCC(Cc1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide?
The InChIKey is JIETZUSKZFDYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(2)16(19)17-12-15(18(3)4)11-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide?
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide is sourced from PubChem (CID 51075787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).