3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide

C14H21N3O2 — CID 43579107

IUPAC3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
SMILESCCN(CC(=O)NC)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-3-17(10-13(18)16-2)14(19)9-12(15)11-7-5-4-6-8-11/h4-8,12H,3,9-10,15H2,1-2H3,(H,16,18)
InChIKeyXOYVOUFEPJFTPB-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.67
Rot. Bonds6

About 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide

3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide (PubChem CID 43579107) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
PubChem CID43579107
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
SMILESCCN(CC(=O)NC)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-3-17(10-13(18)16-2)14(19)9-12(15)11-7-5-4-6-8-11/h4-8,12H,3,9-10,15H2,1-2H3,(H,16,18)
InChIKeyXOYVOUFEPJFTPB-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119952064
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 60837009
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119951050
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide
CID 55017596
2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid
CID 63324134
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285
2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
CID 55017743
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide (CID 43579107) is 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide is CCN(CC(=O)NC)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is XOYVOUFEPJFTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(10-13(18)16-2)14(19)9-12(15)11-7-5-4-6-8-11/h4-8,12H,3,9-10,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide?
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 43579107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).