2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide

C17H20N4O3 — CID 78840745

IUPAC2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1
InChIInChI=1S/C17H20N4O3/c1-17(2,3)16(24)19-12-7-4-6-11(10-12)14(22)20-21-15(23)13-8-5-9-18-13/h4-10,18H,1-3H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeySVKPBLNVDUHTIH-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.07
Rot. Bonds3

About 2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide

2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide (PubChem CID 78840745) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide
PubChem CID78840745
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1
InChIInChI=1S/C17H20N4O3/c1-17(2,3)16(24)19-12-7-4-6-11(10-12)14(22)20-21-15(23)13-8-5-9-18-13/h4-10,18H,1-3H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeySVKPBLNVDUHTIH-UHFFFAOYSA-N
XLogP2.07
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-3-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]urea
CID 78868165
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 35187050
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide
CID 35185117
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
2,2-dimethyl-N-[3-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 30544816
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide (CID 78840745) is 2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide?
The InChIKey is SVKPBLNVDUHTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-17(2,3)16(24)19-12-7-4-6-11(10-12)14(22)20-21-15(23)13-8-5-9-18-13/h4-10,18H,1-3H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of 2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide?
2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide has a molecular weight of 328.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide is sourced from PubChem (CID 78840745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).