N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide

C23H27N3O3 — CID 86996810

IUPACN'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-16(2)25-20(27)14-17-8-10-19(11-9-17)26-22(29)21(28)24-15-23(12-13-23)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyAVBYVUHUZHNWNQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.54
Rot. Bonds7

About N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide

N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide (PubChem CID 86996810) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide
PubChem CID86996810
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-16(2)25-20(27)14-17-8-10-19(11-9-17)26-22(29)21(28)24-15-23(12-13-23)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyAVBYVUHUZHNWNQ-UHFFFAOYSA-N
XLogP2.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335602
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 7270600
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
1-[4-[[[N'-methyl-N-[(1-phenylcyclobutyl)methyl]carbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111854681
N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86996807
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
2-methyl-N-[4-[[[N'-methyl-N-[(1-phenylcyclobutyl)methyl]carbamimidoyl]amino]methyl]phenyl]propanamide;hydroiodide
CID 111855179
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
2-[1-(4-ethylphenyl)ethylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 112810943
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675

Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide?
The IUPAC name of N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide (CID 86996810) is N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide.
What is the SMILES notation for N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide?
The canonical SMILES for N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide is CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CC2)cc1.
What is the InChIKey of N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide?
The InChIKey is AVBYVUHUZHNWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(2)25-20(27)14-17-8-10-19(11-9-17)26-22(29)21(28)24-15-23(12-13-23)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide?
N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide has a molecular weight of 393.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide is sourced from PubChem (CID 86996810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).