N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide

C21H25N3O3 — CID 113061754

IUPACN-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
SMILESCC(=O)Nc1cccc(N(CCNC(=O)CCc2ccccc2)C(C)=O)c1
InChIInChI=1S/C21H25N3O3/c1-16(25)23-19-9-6-10-20(15-19)24(17(2)26)14-13-22-21(27)12-11-18-7-4-3-5-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyVZFRAPMAVVEKQT-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.75
Rot. Bonds8

About N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide

N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide (PubChem CID 113061754) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
PubChem CID113061754
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
SMILESCC(=O)Nc1cccc(N(CCNC(=O)CCc2ccccc2)C(C)=O)c1
InChIInChI=1S/C21H25N3O3/c1-16(25)23-19-9-6-10-20(15-19)24(17(2)26)14-13-22-21(27)12-11-18-7-4-3-5-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyVZFRAPMAVVEKQT-UHFFFAOYSA-N
XLogP2.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
CID 113064234
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
CID 113061447
3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
CID 113131003
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
CID 113058709
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
CID 113130989
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
CID 113057406
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide (CID 113061754) is N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide is CC(=O)Nc1cccc(N(CCNC(=O)CCc2ccccc2)C(C)=O)c1.
What is the InChIKey of N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide?
The InChIKey is VZFRAPMAVVEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)23-19-9-6-10-20(15-19)24(17(2)26)14-13-22-21(27)12-11-18-7-4-3-5-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide?
N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide has a molecular weight of 367.45 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113061754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).