N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide

C14H21N3O2 — CID 142268155

IUPACN,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
SMILESCNCC(=O)NC(CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-15-10-13(18)16-12(9-14(19)17(2)3)11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H,16,18)
InChIKeyKQBLEEBAWAZEAW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.54
Rot. Bonds6

About N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide

N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide (PubChem CID 142268155) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
PubChem CID142268155
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
SMILESCNCC(=O)NC(CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-15-10-13(18)16-12(9-14(19)17(2)3)11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H,16,18)
InChIKeyKQBLEEBAWAZEAW-UHFFFAOYSA-N
XLogP0.54
TPSA61.44 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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316
methyl 3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoate
CID 119695221
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
(3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide
CID 94797585
(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 94782001
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
CID 94782805
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 94675875
3-[[2-[acetyl(methyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 43171871
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide?
The IUPAC name of N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide (CID 142268155) is N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide?
The canonical SMILES for N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide is CNCC(=O)NC(CC(=O)N(C)C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide?
The InChIKey is KQBLEEBAWAZEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-10-13(18)16-12(9-14(19)17(2)3)11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H,16,18).
What are the key properties of N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide?
N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 142268155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).