N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide

C26H32N2O — CID 42763120

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide
SMILESCCc1ccc(C(=O)N(Cc2cccn2Cc2ccccc2)C(C)C(C)C)cc1
InChIInChI=1S/C26H32N2O/c1-5-22-13-15-24(16-14-22)26(29)28(21(4)20(2)3)19-25-12-9-17-27(25)18-23-10-7-6-8-11-23/h6-17,20-21H,5,18-19H2,1-4H3
InChIKeyFYYFFBPRLYRHHF-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.79
Rot. Bonds8

About N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide

N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 42763120) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID42763120
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide
SMILESCCc1ccc(C(=O)N(Cc2cccn2Cc2ccccc2)C(C)C(C)C)cc1
InChIInChI=1S/C26H32N2O/c1-5-22-13-15-24(16-14-22)26(29)28(21(4)20(2)3)19-25-12-9-17-27(25)18-23-10-7-6-8-11-23/h6-17,20-21H,5,18-19H2,1-4H3
InChIKeyFYYFFBPRLYRHHF-UHFFFAOYSA-N
XLogP5.79
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzylpyrrol-2-yl)methyl]-N-(3-methylbutan-2-yl)-4-phenylbenzamide
CID 42663176
4-ethyl-N-[(2S)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 7301359
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]naphthalene-2-carboxamide
CID 7398373
N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 810278
N-[(1-benzylpyrrol-2-yl)methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 3915866
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-4-hexylbenzamide
CID 7327311
N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-(3-methylbutan-2-yl)acetamide
CID 42763126
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide
CID 4599873
N-butan-2-yl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3322535
N-[2-[benzyl-[(1-benzylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-prop-2-enylbenzamide
CID 42777086
4-fluoro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 42762727
cis-(1R,2S)-N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-3-methylbutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 11893830

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide (CID 42763120) is N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide is CCc1ccc(C(=O)N(Cc2cccn2Cc2ccccc2)C(C)C(C)C)cc1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is FYYFFBPRLYRHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-5-22-13-15-24(16-14-22)26(29)28(21(4)20(2)3)19-25-12-9-17-27(25)18-23-10-7-6-8-11-23/h6-17,20-21H,5,18-19H2,1-4H3.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide?
N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 388.56 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 42763120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).