N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide

C18H21N3O3 — CID 8901324

IUPACN-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
SMILESCC[C@@H](C)NC(=O)C(=O)N/N=C\c1c(OC)ccc2ccccc12
InChIInChI=1S/C18H21N3O3/c1-4-12(2)20-17(22)18(23)21-19-11-15-14-8-6-5-7-13(14)9-10-16(15)24-3/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23)/b19-11-/t12-/m1/s1
InChIKeyBOVWQDNOGBUXRK-ZDFPAGSVSA-N
MW327.38 g/mol
LogP2.21
Rot. Bonds5

About N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide

N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 8901324) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID8901324
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
SMILESCC[C@@H](C)NC(=O)C(=O)N/N=C\c1c(OC)ccc2ccccc12
InChIInChI=1S/C18H21N3O3/c1-4-12(2)20-17(22)18(23)21-19-11-15-14-8-6-5-7-13(14)9-10-16(15)24-3/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23)/b19-11-/t12-/m1/s1
InChIKeyBOVWQDNOGBUXRK-ZDFPAGSVSA-N
XLogP2.21
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901141
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3467471
N-[(2R)-butan-2-yl]-N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]oxamide
CID 8900411
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
N-[(2R)-butan-2-yl]-N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxamide
CID 8931863
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 8932118
N-(2-bromophenyl)-N'-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylpropanediamide
CID 4311948
N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931005
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988811

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide (CID 8901324) is N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide is CC[C@@H](C)NC(=O)C(=O)N/N=C\c1c(OC)ccc2ccccc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is BOVWQDNOGBUXRK-ZDFPAGSVSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-12(2)20-17(22)18(23)21-19-11-15-14-8-6-5-7-13(14)9-10-16(15)24-3/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23)/b19-11-/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide?
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 327.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 8901324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).