N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide

C24H27N3O2 — CID 46434978

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCCN(Cc1ccccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)=O
InChIInChI=1S/C24H27N3O2/c1-5-26(19(4)28)16-21-8-6-7-9-23(21)25-24(29)20-12-14-22(15-13-20)27-17(2)10-11-18(27)3/h6-15H,5,16H2,1-4H3,(H,25,29)
InChIKeyPKCIYFCDQDWPRT-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.71
Rot. Bonds6

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide (PubChem CID 46434978) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
PubChem CID46434978
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCCN(Cc1ccccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)=O
InChIInChI=1S/C24H27N3O2/c1-5-26(19(4)28)16-21-8-6-7-9-23(21)25-24(29)20-12-14-22(15-13-20)27-17(2)10-11-18(27)3/h6-15H,5,16H2,1-4H3,(H,25,29)
InChIKeyPKCIYFCDQDWPRT-UHFFFAOYSA-N
XLogP4.71
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
CID 60553266
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 34717716
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
CID 120623542
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 34713855
4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide
CID 78777192
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dimethoxybenzamide
CID 86982939
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
CID 55700705

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide (CID 46434978) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide is CCN(Cc1ccccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide?
The InChIKey is PKCIYFCDQDWPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-5-26(19(4)28)16-21-8-6-7-9-23(21)25-24(29)20-12-14-22(15-13-20)27-17(2)10-11-18(27)3/h6-15H,5,16H2,1-4H3,(H,25,29).
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide is sourced from PubChem (CID 46434978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).