(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide

C23H31N3O2 — CID 9073272

IUPAC(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-4-26(5-2)17-21-14-10-9-13-20(21)16-24-23(28)15-22(25-18(3)27)19-11-7-6-8-12-19/h6-14,22H,4-5,15-17H2,1-3H3,(H,24,28)(H,25,27)/t22-/m1/s1
InChIKeyXODCZVWFXYDKEP-JOCHJYFZSA-N
MW381.52 g/mol
LogP3.41
Rot. Bonds10

About (3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide

(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide (PubChem CID 9073272) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
PubChem CID9073272
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-4-26(5-2)17-21-14-10-9-13-20(21)16-24-23(28)15-22(25-18(3)27)19-11-7-6-8-12-19/h6-14,22H,4-5,15-17H2,1-3H3,(H,24,28)(H,25,27)/t22-/m1/s1
InChIKeyXODCZVWFXYDKEP-JOCHJYFZSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide
CID 78810432
(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 41188300
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 9303942
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide
CID 60676604
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
(3S)-3-acetamido-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 95155438
3-[[2-(diethylaminomethyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 114897128
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 8750784
N-[4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]phenyl]butanamide
CID 55781577

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide (CID 9073272) is (3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide is CCN(CC)Cc1ccccc1CNC(=O)C[C@@H](NC(C)=O)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide?
The InChIKey is XODCZVWFXYDKEP-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-26(5-2)17-21-14-10-9-13-20(21)16-24-23(28)15-22(25-18(3)27)19-11-7-6-8-12-19/h6-14,22H,4-5,15-17H2,1-3H3,(H,24,28)(H,25,27)/t22-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide?
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide has a molecular weight of 381.52 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 9073272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).