N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide

C19H20N2O2 — CID 99792859

IUPACN-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C19H20N2O2/c22-18(20-13-14-7-3-1-4-8-14)19(23)21-17(16-11-12-16)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyJKSGUTHFDUJQJZ-QGZVFWFLSA-N
MW308.38 g/mol
LogP2.57
Rot. Bonds5

About N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide

N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide (PubChem CID 99792859) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide
PubChem CID99792859
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C19H20N2O2/c22-18(20-13-14-7-3-1-4-8-14)19(23)21-17(16-11-12-16)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyJKSGUTHFDUJQJZ-QGZVFWFLSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-[(R)-cyclopropyl(phenyl)methyl]oxamide
CID 99792858
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 17460566
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
N-[cyclopropyl(phenyl)methyl]prop-2-enamide
CID 43616558
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 175120316
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
CID 102850932
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide?
The IUPAC name of N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide (CID 99792859) is N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide?
The canonical SMILES for N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide is O=C(NCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide?
The InChIKey is JKSGUTHFDUJQJZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(20-13-14-7-3-1-4-8-14)19(23)21-17(16-11-12-16)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,22)(H,21,23)/t17-/m1/s1.
What are the key properties of N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide?
N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide has a molecular weight of 308.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide is sourced from PubChem (CID 99792859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).