3-amino-N-ethyl-N-methyl-3-phenylpropanamide

C12H18N2O — CID 43263469

IUPAC3-amino-N-ethyl-N-methyl-3-phenylpropanamide
SMILESCCN(C)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-3-14(2)12(15)9-11(13)10-7-5-4-6-8-10/h4-8,11H,3,9,13H2,1-2H3
InChIKeyBDCIDZSMCKMJIG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.55
Rot. Bonds4

About 3-amino-N-ethyl-N-methyl-3-phenylpropanamide

3-amino-N-ethyl-N-methyl-3-phenylpropanamide (PubChem CID 43263469) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-methyl-3-phenylpropanamide
PubChem CID43263469
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-N-ethyl-N-methyl-3-phenylpropanamide
SMILESCCN(C)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-3-14(2)12(15)9-11(13)10-7-5-4-6-8-10/h4-8,11H,3,9,13H2,1-2H3
InChIKeyBDCIDZSMCKMJIG-UHFFFAOYSA-N
XLogP1.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950674
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
3-amino-N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950369
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide
CID 99601037
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
3-amino-N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 119950141
3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
CID 43528267
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide
CID 102560406

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-ethyl-N-methyl-3-phenylpropanamide (CID 43263469) is 3-amino-N-ethyl-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-ethyl-N-methyl-3-phenylpropanamide is CCN(C)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-ethyl-N-methyl-3-phenylpropanamide?
The InChIKey is BDCIDZSMCKMJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14(2)12(15)9-11(13)10-7-5-4-6-8-10/h4-8,11H,3,9,13H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-methyl-3-phenylpropanamide?
3-amino-N-ethyl-N-methyl-3-phenylpropanamide has a molecular weight of 206.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 43263469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).