3-acetamido-N,N-diethyl-3-phenylpropanamide

C15H22N2O2 — CID 78777211

IUPAC3-acetamido-N,N-diethyl-3-phenylpropanamide
SMILESCCN(CC)C(=O)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-4-17(5-2)15(19)11-14(16-12(3)18)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3,(H,16,18)
InChIKeyNBSKFUDAQTWJBF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.12
Rot. Bonds6

About 3-acetamido-N,N-diethyl-3-phenylpropanamide

3-acetamido-N,N-diethyl-3-phenylpropanamide (PubChem CID 78777211) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-acetamido-N,N-diethyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N,N-diethyl-3-phenylpropanamide
PubChem CID78777211
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-acetamido-N,N-diethyl-3-phenylpropanamide
SMILESCCN(CC)C(=O)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-4-17(5-2)15(19)11-14(16-12(3)18)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3,(H,16,18)
InChIKeyNBSKFUDAQTWJBF-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
2-[(3-acetamido-3-phenylpropanoyl)-methylamino]propanoic acid
CID 119209228
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135821026
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
CID 9073272
3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]-ethylamino]propanoic acid
CID 166224732
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 8750784
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
CID 78776290
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N,N-diethyl-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N,N-diethyl-3-phenylpropanamide (CID 78777211) is 3-acetamido-N,N-diethyl-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N,N-diethyl-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N,N-diethyl-3-phenylpropanamide is CCN(CC)C(=O)CC(NC(C)=O)c1ccccc1.
What is the InChIKey of 3-acetamido-N,N-diethyl-3-phenylpropanamide?
The InChIKey is NBSKFUDAQTWJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-17(5-2)15(19)11-14(16-12(3)18)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3,(H,16,18).
What are the key properties of 3-acetamido-N,N-diethyl-3-phenylpropanamide?
3-acetamido-N,N-diethyl-3-phenylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N,N-diethyl-3-phenylpropanamide is sourced from PubChem (CID 78777211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).