N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide

C23H27N3O — CID 119528404

IUPACN-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(N)c2ccccc2)c(C)n1C(C)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-16-14-21(18(3)26(16)17(2)19-10-6-4-7-11-19)23(27)25-15-22(24)20-12-8-5-9-13-20/h4-14,17,22H,15,24H2,1-3H3,(H,25,27)
InChIKeyIZJCVZLNSQHTOI-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.14
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide

N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide (PubChem CID 119528404) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
PubChem CID119528404
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(N)c2ccccc2)c(C)n1C(C)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-16-14-21(18(3)26(16)17(2)19-10-6-4-7-11-19)23(27)25-15-22(24)20-12-8-5-9-13-20/h4-14,17,22H,15,24H2,1-3H3,(H,25,27)
InChIKeyIZJCVZLNSQHTOI-UHFFFAOYSA-N
XLogP4.14
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]butanoate
CID 78852531
propan-2-yl 3-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]propanoate
CID 78852657
methyl 2-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]-3-methylbutanoate
CID 78861224
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 78876208
2,5-dimethyl-1-(1-phenylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole-3-carboxamide
CID 78852684
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 71855695
N-[3-(4-ethylpiperazin-1-yl)propyl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 78873990
N-[4-(4-ethylpiperazin-1-yl)butyl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 78871210
2,5-dimethyl-1-(1-phenylethyl)-N-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 119392391
N-(2-amino-2-phenylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806521
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268
N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119528413

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide (CID 119528404) is N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCC(N)c2ccccc2)c(C)n1C(C)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is IZJCVZLNSQHTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-14-21(18(3)26(16)17(2)19-10-6-4-7-11-19)23(27)25-15-22(24)20-12-8-5-9-13-20/h4-14,17,22H,15,24H2,1-3H3,(H,25,27).
What are the key properties of N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 119528404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).