N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide

C21H26N2O2 — CID 86981703

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
SMILESCCN(Cc1ccccc1NC(=O)CC(C)c1ccccc1)C(C)=O
InChIInChI=1S/C21H26N2O2/c1-4-23(17(3)24)15-19-12-8-9-13-20(19)22-21(25)14-16(2)18-10-6-5-7-11-18/h5-13,16H,4,14-15H2,1-3H3,(H,22,25)
InChIKeyAMJVXSNIADAVNN-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.19
Rot. Bonds7

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide (PubChem CID 86981703) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
PubChem CID86981703
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
SMILESCCN(Cc1ccccc1NC(=O)CC(C)c1ccccc1)C(C)=O
InChIInChI=1S/C21H26N2O2/c1-4-23(17(3)24)15-19-12-8-9-13-20(19)22-21(25)14-16(2)18-10-6-5-7-11-18/h5-13,16H,4,14-15H2,1-3H3,(H,22,25)
InChIKeyAMJVXSNIADAVNN-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
CID 51942532
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49278693
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 34714029
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119732846
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
CID 60553266
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
CID 1122017

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide (CID 86981703) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide is CCN(Cc1ccccc1NC(=O)CC(C)c1ccccc1)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide?
The InChIKey is AMJVXSNIADAVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-23(17(3)24)15-19-12-8-9-13-20(19)22-21(25)14-16(2)18-10-6-5-7-11-18/h5-13,16H,4,14-15H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide has a molecular weight of 338.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide is sourced from PubChem (CID 86981703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).