5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide

C18H24N4O2 — CID 10268342

IUPAC5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H24N4O2/c1-11-6-8-12(9-7-11)20-17(24)21-13-10-14(18(2,3)4)22-15(13)16(23)19-5/h6-10,22H,1-5H3,(H,19,23)(H2,20,21,24)
InChIKeyIUQGCASIGSSLDX-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.62
Rot. Bonds3

About 5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide

5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide (PubChem CID 10268342) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide
PubChem CID10268342
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H24N4O2/c1-11-6-8-12(9-7-11)20-17(24)21-13-10-14(18(2,3)4)22-15(13)16(23)19-5/h6-10,22H,1-5H3,(H,19,23)(H2,20,21,24)
InChIKeyIUQGCASIGSSLDX-UHFFFAOYSA-N
XLogP3.62
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-Butyl-3-(3-naphthalen-1-yl-ureido)-1H-pyrrole-2-carboxylic acid methylamide
CID 10270151
1,3-dimethyl-6-phenyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 12267225
5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-1H-pyrrole-2-carboxylic acid methylamide
CID 18322353
5-Phenyl-1H-pyrrole-2-carboxylic acid (1-cyclohexylcarbamoyl-butyl)-(3-diethylamino-propyl)-amide
CID 3153998
5-Phenyl-1H-pyrrole-2-carboxylic acid (1-cyclohexylcarbamoyl-pentyl)-(3-diethylamino-propyl)-amide
CID 3153999
6-Phenyl-3-propyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 9970296
1,3-Dimethyl-6-((E)-styryl)-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 9993865
6-Phenyl-1,3-dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 9995603
5-Methyl-6-phenyl-1,3-dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10019225
N-[1-(cyclohexylamino)-1-oxobutan-2-yl]-N-[3-(diethylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 10253999
3-Methyl-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10421804
3-[2-[4-(4-Propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 10928161

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide (CID 10268342) is 5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide is CNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide?
The InChIKey is IUQGCASIGSSLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11-6-8-12(9-7-11)20-17(24)21-13-10-14(18(2,3)4)22-15(13)16(23)19-5/h6-10,22H,1-5H3,(H,19,23)(H2,20,21,24).
What are the key properties of 5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide?
5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10268342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).