2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide

C17H25N3O2 — CID 163433236

IUPAC2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide
SMILESC=NC(C(=O)NC(C)Cc1ccccc1)N(CCC)C(C)=O
InChIInChI=1S/C17H25N3O2/c1-5-11-20(14(3)21)16(18-4)17(22)19-13(2)12-15-9-7-6-8-10-15/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,19,22)
InChIKeyASHLNZMVDPMTGT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.02
Rot. Bonds8

About 2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide

2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 163433236) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide
PubChem CID163433236
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide
SMILESC=NC(C(=O)NC(C)Cc1ccccc1)N(CCC)C(C)=O
InChIInChI=1S/C17H25N3O2/c1-5-11-20(14(3)21)16(18-4)17(22)19-13(2)12-15-9-7-6-8-10-15/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,19,22)
InChIKeyASHLNZMVDPMTGT-UHFFFAOYSA-N
XLogP2.02
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide
CID 166851140
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
(5S)-5-methyl-N-[(3R)-3-methyl-4-oxo-4-[[(2R)-1-phenylpropan-2-yl]amino]butyl]-N-propylheptanamide
CID 167496660
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide
CID 3027107
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride
CID 3027106
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide (CID 163433236) is 2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide is C=NC(C(=O)NC(C)Cc1ccccc1)N(CCC)C(C)=O.
What is the InChIKey of 2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is ASHLNZMVDPMTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-11-20(14(3)21)16(18-4)17(22)19-13(2)12-15-9-7-6-8-10-15/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,19,22).
What are the key properties of 2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide?
2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 163433236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).