3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide

C16H25N3O2 — CID 62878348

IUPAC3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)12(3)18-15(20)14(11-17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3,(H,18,20)
InChIKeyRSUXFXGMIFSIEI-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.10
Rot. Bonds7

About 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide

3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide (PubChem CID 62878348) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide
PubChem CID62878348
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)12(3)18-15(20)14(11-17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3,(H,18,20)
InChIKeyRSUXFXGMIFSIEI-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 43425569
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661
3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
CID 65314592
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide
CID 103814209
4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684154
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 110287067
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide (CID 62878348) is 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide is CCN(CC)C(=O)C(C)NC(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide?
The InChIKey is RSUXFXGMIFSIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)12(3)18-15(20)14(11-17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide?
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 62878348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).