N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide

C19H21N3O3 — CID 17177513

IUPACN-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-12(2)14-4-6-15(7-5-14)18(24)21-22-19(25)16-8-10-17(11-9-16)20-13(3)23/h4-12H,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyOOLFLQKQFAEVHD-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.84
Rot. Bonds4

About N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide

N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide (PubChem CID 17177513) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
PubChem CID17177513
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-12(2)14-4-6-15(7-5-14)18(24)21-22-19(25)16-8-10-17(11-9-16)20-13(3)23/h4-12H,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyOOLFLQKQFAEVHD-UHFFFAOYSA-N
XLogP2.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 17177592
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate
CID 7957948
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7969054
4-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171719
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide
CID 91823894
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide (CID 17177513) is N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide?
The InChIKey is OOLFLQKQFAEVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(2)14-4-6-15(7-5-14)18(24)21-22-19(25)16-8-10-17(11-9-16)20-13(3)23/h4-12H,1-3H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide?
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 17177513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).