N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide

C18H25N3O — CID 119526933

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)n1C
InChIInChI=1S/C18H25N3O/c1-12(2)14-6-8-15(9-7-14)16(19)11-20-18(22)17-10-5-13(3)21(17)4/h5-10,12,16H,11,19H2,1-4H3,(H,20,22)
InChIKeyMJOKWKZUTPPTHJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.89
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 119526933) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID119526933
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)n1C
InChIInChI=1S/C18H25N3O/c1-12(2)14-6-8-15(9-7-14)16(19)11-20-18(22)17-10-5-13(3)21(17)4/h5-10,12,16H,11,19H2,1-4H3,(H,20,22)
InChIKeyMJOKWKZUTPPTHJ-UHFFFAOYSA-N
XLogP2.89
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63732838
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 119527349
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119526828
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
2-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525343
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
(3S)-3-[[(1,5-dimethylpyrrole-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65494915
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119526851
N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 116650019
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide (CID 119526933) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)n1C.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is MJOKWKZUTPPTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(2)14-6-8-15(9-7-14)16(19)11-20-18(22)17-10-5-13(3)21(17)4/h5-10,12,16H,11,19H2,1-4H3,(H,20,22).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 119526933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).