N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide

C19H26N2O3 — CID 98765324

IUPACN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide
SMILESCO[C@H](C)c1cccc(NC(=O)C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)c1
InChIInChI=1S/C19H26N2O3/c1-12(24-2)14-4-3-5-17(10-14)21-19(23)18(22)20-11-16-9-13-6-7-15(16)8-13/h3-5,10,12-13,15-16H,6-9,11H2,1-2H3,(H,20,22)(H,21,23)/t12-,13+,15+,16+/m1/s1
InChIKeyJYZTVIGSTWZRQS-VRKREXBASA-N
MW330.43 g/mol
LogP2.88
Rot. Bonds5

About N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide

N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide (PubChem CID 98765324) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide.

Molecular Properties

Compound NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide
PubChem CID98765324
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide
SMILESCO[C@H](C)c1cccc(NC(=O)C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)c1
InChIInChI=1S/C19H26N2O3/c1-12(24-2)14-4-3-5-17(10-14)21-19(23)18(22)20-11-16-9-13-6-7-15(16)8-13/h3-5,10,12-13,15-16H,6-9,11H2,1-2H3,(H,20,22)(H,21,23)/t12-,13+,15+,16+/m1/s1
InChIKeyJYZTVIGSTWZRQS-VRKREXBASA-N
XLogP2.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[3-[(1R)-1-methoxyethyl]phenyl]urea
CID 124733086
4-[3-(1-methoxyethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029796
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide
CID 129377894
N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide
CID 95315395
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 111431597
N-[3-[(1R)-1-methoxyethyl]phenyl]-N'-[(1R)-1-(2-methylphenyl)ethyl]oxamide
CID 95160412
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1-methoxyethyl)phenyl]acetamide
CID 119768546
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(3,4-dichlorophenyl)urea
CID 98157357
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-phenylacetamide
CID 55232631

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide?
The IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide (CID 98765324) is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide.
What is the SMILES notation for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide?
The canonical SMILES for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide is CO[C@H](C)c1cccc(NC(=O)C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)c1.
What is the InChIKey of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide?
The InChIKey is JYZTVIGSTWZRQS-VRKREXBASA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(24-2)14-4-3-5-17(10-14)21-19(23)18(22)20-11-16-9-13-6-7-15(16)8-13/h3-5,10,12-13,15-16H,6-9,11H2,1-2H3,(H,20,22)(H,21,23)/t12-,13+,15+,16+/m1/s1.
What are the key properties of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide?
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide has a molecular weight of 330.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide is sourced from PubChem (CID 98765324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).